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维拉帕米, Ca v1.1的通道阻断剂;Ca v1.2的通道阻断剂;Ca v1.2的门控抑制剂;Ca v1.3的通道阻断剂;Ca v1.4的通道阻断剂;CYP3A4的抑制剂;K ir3的门控抑制剂。2;K1.7;K1.8;K3.2;Navi2.1;质膜单胺转运体抑制剂;TPC1 通道阻断剂;TPC2 通道阻断剂

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货号 (SKU) 包装规格 是否现货 价格 数量
V303890-100mg
 100mg 现货 Stock Image
V303890-250mg
 250mg 现货 Stock Image
V303890-1g
 1g 现货 Stock Image
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Calcium Channel (231) Cav1.1 Channel blocker (2) Cav1.2 Channel blocker (5) Cav1.2 Gating inhibitor (10) Cav1.3 Channel blocker (3) Cav1.4 Channel blocker (2) CYP3A4 Inhibitor (10) Cytochrome P450 (243) Kir3.2 Gating inhibitor (8) Kv1.7 Channel blocker (12) Kv1.8 Channel blocker (4) Kv3.2 Channel blocker (2) Metabolic Enzyme/Protease (4889) Navi2.1 Channel blocker (1) P-glycoprotein (65) Plasma membrane monoamine transporter Inhibitor (7) TPC1 Channel blocker (1) TPC2 Channel blocker (1) 动物造模 (18) 心血管疾病动物模型 (7) 神经元信号传导 (3320) 离子通道 (4087) 脂质代谢 (4331) 膜转运体 (1142) 膜转运器/离子通道 (1829)
main product photo

基本描述

别名 5-((3,4-二甲氧基苯乙基)(甲基)氨基)-2-(3,4-二甲氧基苯基)-2-异丙基戊腈
英文别名 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile | Spectrum2_001740 | Verelan | Lekoptin | alpha-(3-((2-(3,4-Di
规格或纯度 Moligand™, ≥98%
英文名称 Verapamil
储存温度 -20°C储存
运输条件 超低温冰袋运输
作用类型 抑制剂
作用机制 Ca v1.1的通道阻断剂;Ca v1.2的通道阻断剂;Ca v1.2的门控抑制剂;Ca v1.3的通道阻断剂;Ca v1.4的通道阻断剂;CYP3A4的抑制剂;K ir3的门控抑制剂。2;K1.7;K1.8;K3.2;Navi2.1;质膜单胺转运体抑制剂;TPC1 通道阻断剂;TPC2 通道阻断剂
产品介绍

Verapamil ((±)-Verapamil) 是一种钙通道 (calcium channel) 阻滞剂，是一种有效的口服活性的第一代 P 糖蛋白 (P-gp) 抑制剂。Verapamil 能也抑制 CYP3A4，并可用于高血压，心律不齐和心绞痛的研究。
纯度 ≥98%

关联靶点（人）

CYP3A4 Tclin 细胞色素P450 3A4(Cytochrome P450 3A4) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
ABCB1 Tchem 多药耐药蛋白1(Multidrug resistance protein 1) (46 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
KCNJ6 Tchem G蛋白激活内向整流钾通道2(G protein-activated inward rectifier potassium channel 2) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
KCNA7 Tclin 钾电压门控通道亚家族 A 成员 7(Potassium voltage-gated channel subfamily A member 7) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
TPCN2 Tchem 双孔钙通道蛋白2(Two pore calcium channel protein 2) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
SLC29A4 Tchem 平衡核苷转运体 4(Equilibrative nucleoside transporter 4) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
SLC6A4 Tclin 钠依赖性血清素转运体(Sodium-dependent serotonin transporter) (2 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
TPCN1 Tchem 双孔钙通道蛋白1(Two pore calcium channel protein 1) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
CACNA1C Tclin 电压依赖性 L 型钙通道亚基 α-1C(Voltage-dependent L-type calcium channel subunit alpha-1C) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
CACNA1D Tclin 电压依赖性 L 型钙通道亚基 alpha-1D(Voltage-dependent L-type calcium channel subunit alpha-1D) (0 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
CACNA1F Tchem 电压依赖性 L 型钙通道亚基 α-1F(Voltage-dependent L-type calcium channel subunit alpha-1F) (0 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
CACNA1S Tclin 电压依赖性 L 型钙通道亚基 α-1S(Voltage-dependent L-type calcium channel subunit alpha-1S) (0 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
DRD3 Tclin D(3) 多巴胺受体(D(3) dopamine receptor) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
ABCG2 Tchem ATP 结合盒亚家族 G 成员 2(ATP-binding cassette sub-family G member 2) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
KCNH2 Tclin 钾电压门控通道亚家族 H 成员 2(Potassium voltage-gated channel subfamily H member 2) (14 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
KCNA10 Tclin 钾电压门控通道亚家族 A 成员 10(Potassium voltage-gated channel subfamily A member 10) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
KCNA3 Tclin 钾电压门控通道亚家族 A 成员 3(Potassium voltage-gated channel subfamily A member 3) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
KCNC2 Tclin 钾电压门控通道亚家族 C 成员 2(Potassium voltage-gated channel subfamily C member 2) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
NALCN Tchem 钠漏通道非选择性蛋白(Sodium leak channel non-selective protein) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
PDE5A Tclin Phosphodiesterase 5A (5113 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
F2 Tclin Thrombin (11687 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CA2 Tclin Carbonic anhydrase II (17698 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ESR1 Tclin Estrogen receptor alpha (17718 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HMGCR Tclin HMG-CoA reductase (2475 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
INSR Tclin Insulin receptor (5558 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PGR Tclin Progesterone receptor (8562 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor (11824 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AR Tclin Androgen Receptor (11781 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
RARA Tclin Retinoic acid receptor alpha (1324 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ACE Tclin Angiotensin-converting enzyme (1423 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DRD2 Tclin Dopamine D2 receptor (23596 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRA1 Tclin GABA receptor alpha-1 subunit (399 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CNR1 Tclin Cannabinoid CB1 receptor (20913 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DRD4 Tchem Dopamine D4 receptor (7907 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HRH2 Tclin Histamine H2 receptor (5428 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA1D Tclin Alpha-1d adrenergic receptor (4171 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AVPR2 Tclin Vasopressin V2 receptor (2912 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AGTR1 Tclin Type-1 angiotensin II receptor (5176 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CALCR Tclin Calcitonin receptor (2215 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CRHR1 Tclin Corticotropin releasing factor receptor 1 (2996 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA1B Tclin Alpha-1b adrenergic receptor (2912 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AVPR1A Tclin Vasopressin V1a receptor (5412 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GCGR Tclin Glucagon receptor (2563 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点（其它种属）

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mc4r Melanocortin receptor 4 (1205 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Ltc4s Leukotriene C4 synthase (1 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Tspo Peripheral-type benzodiazepine receptor (243 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Sigmar1 Sigma opioid receptor (160 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Npy1r Neuropeptide Y receptor type 1 (8 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Cruzipain (33337 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Cckar Cholecystokinin A receptor (90 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Ntsr1 Neurotensin receptor 1 (48 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Pde4d Phosphodiesterase 4D (4 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Bdkrb1 Bradykinin B1 receptor (77 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Abcc1 Multidrug resistance-associated protein 1 (42 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Abcb1b P-glycoprotein 1 (174 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Nos2 Nitric oxide synthase, inducible (3573 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mapk1 MAP kinase ERK2 (650 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mmp9 Matrix metalloproteinase 9 (38 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Abcb1a P-glycoprotein 3 (492 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Hcar2 Hydroxycarboxylic acid receptor 2 (55 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mycobacterium avium (4587 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mycobacterium tuberculosis (203094 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Pneumocystis carinii (749 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Saccharomyces cerevisiae (19171 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mycolicibacterium smegmatis (8003 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Leishmania infantum (5912 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Trypanosoma brucei (78846 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Trypanosoma brucei brucei (13300 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Entamoeba histolytica (2676 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Cryptosporidium parvum (1150 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Leishmania amazonensis (3813 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Leishmania donovani (89745 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Leishmania major (2877 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Leishmania mexicana (936 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Trypanosoma cruzi (99888 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Trichomonas vaginalis (2376 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Toxoplasma gondii (4585 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Cavia porcellus (23802 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Canis familiaris (36305 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Felis catus (3858 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Oryctolagus cuniculus (11301 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mus musculus (284745 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Sindbis virus (1599 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Plasmodium yoelii nigeriensis (1119 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Trypanosoma brucei rhodesiense (7991 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BHK-21 (725 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CHO (4503 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

PubChem SID 504750575
分子类型 小分子
IIUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
INCHI 1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
InChi Key SGTNSNPWRIOYBX-UHFFFAOYSA-N
Smiles CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
Isomeric SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
PubChem CID 2520
分子量 454.6

化学和物理性质

沸点 243-246 ºC
熔点 25°C
分子量 454.600 g/mol
XLogP3 3.800
氢键供体数Hydrogen Bond Donor Count 0
氢键受体数Hydrogen Bond Acceptor Count 6
可旋转键计数Rotatable Bond Count 13
精确质量Exact Mass 454.283 Da
单同位素质量Monoisotopic Mass 454.283 Da
拓扑极表面积Topological Polar Surface Area 64.000 Ų
重原子数Heavy Atom Count 33
形式电荷Formal Charge 0
复杂度Complexity 606.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 1
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性（GHS）

象形图 GHS06
信号词 危险
危险声明

H301: 吞咽会中毒

H311: 皮肤接触有毒

H331: 吸入会中毒
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P330: 漱口

P302+P352: 如皮肤沾染：用水充分清洗。

P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。

P361+P364: 立即脱掉所有沾染的衣服，清洗后方可重新使用。

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E2410255 分析证书 V303890
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I2515041 分析证书 V303890
I2522079 分析证书 V303890
F23271471 分析证书 V303890
F23271472 分析证书 V303890
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F23271480 分析证书 V303890
D2426085 分析证书 V303890
C2219467 分析证书 V303890
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引用文献

1. Jie Huang, Xiao Tang, Ziqiong Yang, Jianqiu Chen, Kun Wang, Chengnan Shi, Zihan Liu, Ming Wu, Qian Du.  (2024)  Enhancing oral delivery and anticancer efficacy of 7-ethyl-10-hydroxycamptothecin through self-assembled micelles of deoxycholic acid grafted N'-nonyl-trimethyl chitosan.  COLLOIDS AND SURFACES B-BIOINTERFACES,  234  (113736).  [PMID:38215603] [10.1016/j.colsurfb.2023.113736]
2. Yu Wang, Yao Yu, Yi-Ping Hou, Xue-Wei Mao, Zong-Liang Liu, Jian Cui, Bi Wang, Shu Xu, Yi-Yun Qian, Yan-Qin Jiang, Min Wei, Ping-Ping Song.  (2023)  Crucial Role of the Ca2+/CN Signaling Pathway in the Antifungal Activity of Seselin against Botrytis cinerea.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,  71  (25): (9772–9781).  [PMID:37313981] [10.1021/acs.jafc.3c01474]
3. Lan Tang, Kaijuan Huang, Wenhui Jiang, Lulu Fu, Ran Zhang, Liting Shen, Zhimin Ou, Ye Huang, Zhenhai Zhang.  (2023)  Exploration of the inhibition action of TPGS on tumor cells and its combined use with chemotherapy drugs.  DRUG DELIVERY,  30  (1): (2183830).  [PMID:36852689] [10.1080/10717544.2023.2183830]
4. Bin Jiao, Huimin Ye, Xinwei Liu, Jiexun Bu, Junhan Wu, Wenpeng Zhang, Yunfeng Zhang, Zheng Ouyang.  (2021)  Handheld Mass Spectrometer with Intelligent Adaptability for On-Site and Point-of-Care Analysis.  ANALYTICAL CHEMISTRY,  93  (47): (15607–15616).  [PMID:34780167] [10.1021/acs.analchem.1c02508]
5. Yuqin Zhou, Weitong Hu, Xiangli Zhang, Yi Wang, Wenya Zhuang, Fengzhi Li, Qingyong Li.  (2021)  Cellular Uptake and Transport Characteristics of FL118 Derivatives in Caco-2 Cell Monolayers.  CHEMICAL & PHARMACEUTICAL BULLETIN,  69  (11): (1054-1060).  [PMID:34719586] [10.1248/cpb.c21-00467]
6. Xiaoyu Lu, Hangyi Wu, Yiping Liang, Zhenhai Zhang, HuiXia Lv.  (2021)  Redox-responsive prodrug for improving oral bioavailability of paclitaxel through bile acid transporter-mediated pathway.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,  600  (120496).  [PMID:33746013] [10.1016/j.ijpharm.2021.120496]
7. Li Sinai, Liu Hongxu, Li Yue, Qin Xiaomei, Li Mengjie, Shang Juju, Xing Wenlong, Gong Yanbing, Liu Weihong, Zhou Mingxue.  (2021)  Shen-Yuan-Dan Capsule Attenuates Verapamil-Induced Zebrafish Heart Failure and Exerts Antiapoptotic and Anti-Inflammatory Effects via Reactive Oxygen Species–Induced NF-κB Pathway.  Frontiers in Pharmacology,  12  [PMID:33732158] [10.3389/fphar.2021.626515]
8. Songhui Zhou, Ruicheng Wang, Hong Xiao.  (2020)  Adipocytes induce the resistance of ovarian cancer to carboplatin through ANGPTL4.  ONCOLOGY REPORTS,  44  (3): (927-938).  [PMID:32705217] [10.3892/or.2020.7647]
9. Renjie Xu, Hongdan Zhu, Lingmin Hu, Beimeng Yu, Xiaohua Zhan, Yichu Yuan, Ping Zhou.  (2020)  Characterization of the intestinal absorption of morroniside from Cornus officinalis Sieb. et Zucc via a Caco-2 cell monolayer model.  PLoS One,  15  (5): (e0227844).  [PMID:32470043] [10.1371/journal.pone.0227844]
10. Zhao Li, Tingwei Cai, Yao Qin, Yunhua Zhang, Ruoheng Jin, Kaikai Mao, Xun Liao, Hu Wan, Jianhong Li.  (2020)  Transcriptional Response of ATP-Binding Cassette (ABC) Transporters to Insecticide in the Brown Planthopper, Nilaparvata lugens (Stål).  Insects,  11  (5): (280).  [PMID:32370222] [10.3390/insects11050280]
11. Can Wu, Nani Wang, Pingcui Xu, Xuping Wang, Dan Shou, Yan Zhu.  (2020)  Preparation and application of polyvinyl alcohol-decorated cell membrane chromatography for screening anti-osteoporosis components from Liuwei Dihuang decoction-containing serum.  JOURNAL OF SEPARATION SCIENCE,  43  (11): (2105-2114).  [PMID:32135026] [10.1002/jssc.201901203]
12. Yonghong Miao, Xiaoxue Sun, Guojun Gao, Xianglei Jia, Hao Wu, Ying Chen, Liyong Huang.  (2019)  Evaluation of (-)-epigallocatechin-3-gallate (EGCG)-induced cytotoxicity on astrocytes: A potential mechanism of calcium overloading-induced mitochondrial dysfunction.  TOXICOLOGY IN VITRO,  61  (104592).  [PMID:31356857] [10.1016/j.tiv.2019.104592]
13. Weng Qi, Zhou Leilei, Xia Lihua, Zheng Yixin, Zhang Xiangli, Li Fengzhi, Li Qingyong.  (2019)  In vitro evaluation of FL118 and 9-Q20 cytotoxicity and cellular uptake in 2D and 3D different cell models.  CANCER CHEMOTHERAPY AND PHARMACOLOGY,  84  (3): (527-537).  [PMID:31030236] [10.1007/s00280-019-03846-x]
14. Renjie Xu, Yichu Yuan, Jia Qi, Jia Zhou, Xiaowen Guo, Jian Zhang, Ruanjuan Zhan.  (2018)  Elucidation of the Intestinal Absorption Mechanism of Loganin in the Human Intestinal Caco-2 Cell Model.  Evidence-based Complementary and Alternative Medicine,  2018  (8340563).  [PMID:30671130] [10.1155/2018/8340563]
15. Ying Chen, Jianjun Chen, Xiaoxue Sun, Xiaoxiao Shi, Lei Wang, Liyong Huang, Wenke Zhou.  (2018)  Evaluation of the neuroprotective effect of EGCG: a potential mechanism of mitochondrial dysfunction and mitochondrial dynamics after subarachnoid hemorrhage.  Food & Function,  9  (12): (6349-6359).  [PMID:30452052] [10.1039/C8FO01497C]
16. Xu Renjie, Peng Ying, Wang Mengyue, Li Xiaobo.  (2019)  Intestinal Absorption of Isoalantolactone and Alantolactone, Two Sesquiterpene Lactones from Radix Inulae, Using Caco-2 Cells.  EUROPEAN JOURNAL OF DRUG METABOLISM AND PHARMACOKINETICS,  44  (2): (295-303).  [PMID:30209793] [10.1007/s13318-018-0510-x]
17. Nani Wang, Qiaoyan Zhang, Hailiang Xin, Dan Shou, Luping Qin.  (2017)  Osteoblast cell membrane chromatography coupled with liquid chromatography and time-of-flight mass spectrometry for screening specific active components from traditional Chinese medicines.  JOURNAL OF SEPARATION SCIENCE,  40  (22): (4311-4319).  [PMID:28884956] [10.1002/jssc.201700688]
18. Yixian Liu, Bingjie Liu, Yan Zhang, Youmei Peng, Chenzheng Huang, Ning Wang, Jinhua Jiang, Qingduan Wang, Junbiao Chang.  (2017)  Intestinal absorption mechanisms of 2′-deoxy-2′-β-fluoro-4′-azidocytidine, a cytidine analog for AIDS treatment, and its interaction with P-glycoprotein, multidrug resistance-associated protein 2 and breast cancer resistance protein.  EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES,  105  (150).  [PMID:28487144] [10.1016/j.ejps.2017.05.009]
19. Chen Ying, Huang Liyong, Zhang Huiyong, Diao Xiling, Zhao Shuyang, Zhou Wenke.  (2017)  Reduction in Autophagy by (-)-Epigallocatechin-3-Gallate (EGCG): a Potential Mechanism of Prevention of Mitochondrial Dysfunction After Subarachnoid Hemorrhage.  MOLECULAR NEUROBIOLOGY,  54  (1): (392-405).  [PMID:26742518] [10.1007/s12035-015-9629-9]
20. Qing Wang, Yao Long, Lin Yao, Li Xu, Zhi-Guo Shi, Lanying Xu.  (2016)  Preparation, characterization and application of a reversed phase liquid chromatography/hydrophilic interaction chromatography mixed-mode C18-DTT stationary phase.  TALANTA,  146  (442).  [PMID:26695288] [10.1016/j.talanta.2015.09.009]
21. Qing Wang, Zhi-Yuan Luo, Mao Ye, Yu-Zhuo Wang, Li Xu, Zhi-guo Shi, Lanying Xu.  (2015)  Preparation, chromatographic evaluation and application of adenosine 5′-monophosphate modified ZrO2/SiO2 stationary phase in hydrophilic interaction chromatography.  JOURNAL OF CHROMATOGRAPHY A,  1383  (58).  [PMID:25627970] [10.1016/j.chroma.2015.01.017]
22. Wenjing Li, Xinru Li, Yajie Gao, Yanxia Zhou, Shujin Ma, Yong Zhao, Jinwen Li, Yan Liu, Xinglin Wang, Dongdong Yin.  (2014)  Inhibition Mechanism of P-glycoprotein Mediated Efflux by mPEG-PLA and Influence of PLA Chain Length on P-glycoprotein Inhibition Activity.  MOLECULAR PHARMACEUTICS,  11  (1): (71–80).  [PMID:24256068] [10.1021/mp4004223]
23. Liyun Ma,Simin Liu,Qing Wang,Lin Yao,Li Xu.  (2015-02-03)  Cucurbit(6)uril immobilized on silica: a novel high-performance liquid chromatographic stationary phase..  Journal of separation science,  38  ((7)): (1082-1089).  [PMID:25641573]
24. Qing Lin,Li-qin Ling,Ling Guo,Tao Gong,Xun Sun,Zhi-rong Zhang.  (2015-06-09)  Intestinal absorption characteristics of imperialine: in vitro and in situ assessments..  Acta pharmacologica Sinica,  36  ((7)): (863-873).  [PMID:26051111]
25. Gao J, Aisa HA..  (2017)  Terpenoids from Euphorbia soongarica and Their Multidrug Resistance Reversal Activity..  J Nat Prod,  80  (6): (1767-1775).  [PMID:28590124] [10.1021/acs.jnatprod.6b01099]
26. Weiguo Song, Hekai Yang, Ying Wang, Shuzhen Chen, Wenda Zhong, Qian Wang, Wenshuo Ding, Guangzhao Xu, Chen Meng, Ying Liang, Zhe-Sheng Chen, Shuhua Cao, Liuya Wei, Fahui Li.  (2024)  Glutathione-Sensitive Photosensitizer–Drug Conjugates Target the Mitochondria to Overcome Multi-Drug Resistance in Cancer.  Advanced Science,  (2307765).  [PMID:38898730] [10.1002/advs.202307765]
27. Wang Aiping, Ning Jie, Zhao Lu, Xu Renjie.  (2024)  Lipid-lowering effect and oral transport characteristics study of curculigoside.  Frontiers in Cardiovascular Medicine,  11  [PMID:39015683] [10.3389/fcvm.2024.1426379]
28. Hairong Chen, Guichun Wang, Xiaoliang Li, Jingjing Wang, Xinrui Wang, Yuxiao Wang, Zhenzhen Liu, Jiajia Liu, Yang Ding, Jian Guo, Shuangying Gui.  (2024)  Multi-functional D-alpha-tocopheryl polyethylene glycol succinate surface modified nanocrystals improve the stability and oral bioavailability of pueraria flavonoids.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,  95  (105623).  [10.1016/j.jddst.2024.105623]
29. Lu Yang, Zijin Lin, Ruijing Mu, Wenhan Wu, Hao Zhi, Xiaodong Liu, Hanyu Yang, Li Liu.  (2024)  Neurons enhance blood–brain barrier function via upregulating claudin-5 and VE-cadherin expression due to glial cell line-derived neurotrophic factor secretion.  eLife,  (2024 Oct).  [PMID:39475379] [10.7554/eLife.96161]
30. Rui Li, Wenhui Ruan, Rui Hao, Jue Chen, Chu Xu, Liyan Lu, Yingli Wang.  (2025)  O-carboxymethyl chitosan-grafted-cholesterol succinic acid monoester nanomicelles improve oral absorption of cannabidiol: Preparation, intestinal absorption in vitro, and pharmacokinetics in vivo.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,  (106763).  [10.1016/j.jddst.2025.106763]
31. Liangxing Tu, Ping Han, Yongbing Sun, Yi Jin, Kaili Hu, Meng Cheng, Yisen Shao, Jianfang Feng, Fangying Yuan.  (2024)  Study on the preparation of stabilizer-free silymarin nanocrystals and its oral absorption mechanisms.  International Journal of Pharmaceutics-X,  (100292).  [PMID:39498271] [10.1016/j.ijpx.2024.100292]
32. Yao Yu, Xinru Li, Yiping Hou, Min Wei, Yiyun Qian, Yuxin Zhou, Min Yin, Yanqin Jiang, Pingping Song.  (2024)  The effect of Ca2+-calcineurin signaling pathway on the antifungal activity of Pd-D-V against Botrytis cinerea.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,  203  (106007).  [PMID:39084802] [10.1016/j.pestbp.2024.106007]

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