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硝苯地平, 电压门 L 型钙通道阻滞剂

L型Ca 2+通道阻滞剂
25篇引用文献 COA COA
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货号 (SKU) 包装规格 是否现货 价格 数量
N123275-5g
 5g 现货 Stock Image
N123275-25g
 25g 现货 Stock Image
N123275-100g
 100g 现货 Stock Image
N123275-500g
 500g 现货 Stock Image
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Autophagy (2848) Calcium Channel (231) Cav1.1 Gating inhibitor (6) Cav1.2 Gating inhibitor (10) Cav1.3 Gating inhibitor (8) Cav1.4 Gating inhibitor (5) glycine receptor α1 subunit Antagonist (8) glycine receptor α3 subunit Antagonist (3) glycine receptor β subunit Antagonist (5) Kv1.1 Channel blocker (9) Kv1.2 Channel blocker (13) Kv1.5 Channel blocker (8) Kv1.7 Channel blocker (12) Kv3.1 Channel blocker (4) Pregnane X receptor Agonist (19) TRPM3 Activator (7) 神经元信号传导 (3320) 离子通道 (4087) 膜转运器/离子通道 (1829)
main product photo

基本描述

别名 心痛定,利心平
英文别名 Adipine XL | CHEBI:7565 | Procardia | UNII-I9ZF7L6G2L | Chronadalate | Corynphar | Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-3,5-pyridinedicarboxylate | Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate | Duranifin |
规格或纯度 Moligand™, ≥98%(HPLC)
英文名称 Nifedipine
生化机理 硝苯地平是一种L型Ca2+ 通道阻滞剂；可诱导人成胶质细胞瘤细胞凋亡。[5]硝苯地平具有神经保护作用，可保护黑质。硝苯地平具有抗氧化作用。硝苯地平可下调炎性细胞因子，如巨噬细胞炎症蛋白-2（MIP-2）、肿瘤坏死因子-α（TNF-α）。硝苯地平具有抗高血压作用。硝苯地平可抑制腺苷A2a受体（ADORA2A）基因的胞外区。L型Ca 2+通道阻滞剂。强效，长效血管扩张药。也显示出抑制血管炎症的作用。
应用 硝苯地平被用于： · 评估其对豚鼠小肠R-型钙通道中肌间神经元钙电流的影响。 · 评估L型钙通道阻滞剂对胆碱能和多巴胺能神经元的神经保护作用。 · 确定硝苯地平（抗高血压药物）与降糖药共同给药对人脐静脉细胞（HUVEC）的影响。
储存温度 2-8°C储存
运输条件 冰袋运输
作用类型 封闭剂
作用机制 电压门 L 型钙通道阻滞剂
备注 如果有可能，您尽量在使用的当天配置溶液，并在当天使用完它。但是，如果您需要预先配制储备溶液，我们建议您将溶液等份保存在-20°C的密封小瓶中。通常，它们最多可以使用一个月。在使用前和打开样品瓶之前，我们建议您让您的产品在室温下平衡至少1小时。需要更多关于溶解度，用法和处理的建议吗？请访问我们的常见问题（FAQ）页面以获取更多详细信息。
产品介绍

硝苯地平被用于： · 评估其对豚鼠小肠R-型钙通道中肌间神经元钙电流的影响。 · 评估L型钙通道阻滞剂对胆碱能和多巴胺能神经元的神经保护作用。 · 确定硝苯地平（抗高血压药物）与降糖药共同给药对人脐静脉细胞（HUVEC）的影响。
纯度 ≥98%(HPLC)

产品属性

ALogP 2.2

关联靶点（人）

CYP1A2 Tchem 细胞色素 P450 1A2(Cytochrome P450 1A2) (3 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)
TRPM3 Tchem 瞬时受体电位阳离子通道亚家族M成员3(Transient receptor potential cation channel subfamily M member 3) (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)
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)
KCNC1 Tclin 钾电压门控通道亚家族 C 成员 1(Potassium voltage-gated channel subfamily C member 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)
NR1I2 Tchem 核受体亚家族 1 第 I 组成员 2(Nuclear receptor subfamily 1 group I member 2) (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)
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) (6 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) (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)
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) (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)
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) (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)
GLRA1 Tclin 甘氨酸受体亚基 α-1(Glycine receptor subunit alpha-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)
GLRA3 Tchem 甘氨酸受体亚基 α-3(Glycine receptor subunit alpha-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)
GLRB Tclin 甘氨酸受体亚基β(Glycine receptor subunit beta) (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)
KCNA2 Tclin 钾电压门控通道亚家族 A 成员 2(Potassium voltage-gated channel subfamily A 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)
KCNA5 Tclin 钾电压门控通道亚家族 A 成员 5(Potassium voltage-gated channel subfamily A member 5) (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)
KCNA1 Tclin 钾电压门控通道亚家族 A 成员 1(Potassium voltage-gated channel subfamily A member 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)
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
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
VDR Tclin Vitamin D receptor (26531 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
TSHR Tclin Thyroid stimulating hormone receptor (29986 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
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 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

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
ampC Beta-lactamase AmpC (62480 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
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
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
Cacna1d Voltage-gated L-type calcium channel alpha-1D subunit (336 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
Ppard Peroxisome proliferator-activated receptor delta (358 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
Tdo2 Tryptophan 2,3-dioxygenase (8 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
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
Pseudomonas aeruginosa (123386 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Klebsiella pneumoniae (43867 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
Acinetobacter baumannii (41033 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
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
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
Cryptococcus neoformans (21258 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Candida albicans (78123 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 braziliensis (1091 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
Sus scrofa (849 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
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

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 504750770
EC号 244-598-3
分子类型 小分子
IIUPAC Name dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
INCHI 1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
InChi Key HYIMSNHJOBLJNT-UHFFFAOYSA-N
Smiles CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
Isomeric SMILES CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
分子量 346.33
Reaxy-Rn 497773
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=497773&ln=

化学和物理性质

溶解性 Soluble in acetone, methylene chloride, chloroform, ethyl acetate, dimethyl sulfoxide and methanol. Sparingly soluble in ethanol. Insoluble in water.
敏感性 对光线敏感
熔点 171°C-175°C
分子量 346.300 g/mol
XLogP3 2.200
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 7
可旋转键计数Rotatable Bond Count 5
精确质量Exact Mass 346.116 Da
单同位素质量Monoisotopic Mass 346.116 Da
拓扑极表面积Topological Polar Surface Area 110.000 Ų
重原子数Heavy Atom Count 25
形式电荷Formal Charge 0
复杂度Complexity 608.000
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 0
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

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A2506142 分析证书 N123275
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引用文献

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15. Wang Yiran, Shi Jihua, Dai Dapeng, Cai Jianping, Wang Shuanghu, Hong Yun, Zhou Shan, Zhao Fangling, Zhou Quan, Geng Peiwu, Zhou Yunfang, Xu Xue, Luo Qingfeng.  (2022)  Evaluation of commonly used cardiovascular drugs in inhibiting vonoprazan metabolism in vitro and in vivo.  Frontiers in Pharmacology,  13  [PMID:36052128] [10.3389/fphar.2022.909168]
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17. Xiaoning Ren, Ming Yang, Taotao Yang, Chao Xu, Yongqin Ye, Xiongni Wu, Xing Zheng, Bin Wang, Ying Wan, Zhiqiang Luo.  (2021)  Highly Conductive PPy–PEDOT:PSS Hybrid Hydrogel with Superior Biocompatibility for Bioelectronics Application.  ACS Applied Materials & Interfaces,  13  (21): (25374–25382).  [PMID:34009925] [10.1021/acsami.1c04432]
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19. Zifei Qin, Peile Wang, Shuyi Duan, Xiaoying Wan, Han Xing, Jing Yang, Xiaojian Zhang, Zhihong Yao, Xinsheng Yao.  (2021)  Potential Determinants for Metabolic Fates and Inhibitory Effects of Isobavachalcone Involving in Human Cytochrome P450, UDP-Glucuronosyltransferase Enzymes, and Efflux Transporters.  JOURNAL OF PHARMACEUTICAL SCIENCES,  110  (2285).  [PMID:33610566] [10.1016/j.xphs.2021.02.013]
20. Hongfang Li, Yunyan Tang, Weipeng Wei, Chengchen Yin, Fushan Tang.  (2021)  Effects of saikosaponin-d on CYP3A4 in HepaRG cell and protein-ligand docking study.  BASIC & CLINICAL PHARMACOLOGY & TOXICOLOGY,  128  (5): (661-668).  [PMID:33369126] [10.1111/bcpt.13552]
21. Xinqiang Li, Han Xing, Zifei Qin, Jing Yang, Peile Wang, Xiaojian Zhang, Zhihong Yao, Xinsheng Yao.  (2020)  Potential metabolism determinants and drug–drug interactions of a natural flavanone bavachinin.  RSC Advances,  10  (58): (35141-35152).  [PMID:35515695] [10.1039/D0RA06961B]
22. Xing Han, Yang Jing, Ren Kaidi, Qin Zifei, Wang Peile, Zhang Xiaojian, Yao Zhihong, Gonzalez Frank J, Yao Xinsheng.  (2020)  Investigation on the metabolic characteristics of isobavachin in Psoralea corylifolia L. (Bu-gu-zhi) and its potential inhibition against human cytochrome P450s and UDP-glucuronosyltransferases.  JOURNAL OF PHARMACY AND PHARMACOLOGY,  72  (12): (1865-1878).  [PMID:32750744] [10.1111/jphp.13337]
23. Kangkang Wang, Yuli Kou, Meng Wang, Xin Ma, Jide Wang.  (2020)  Determination of Nitrofuran Metabolites in Fish by Ultraperformance Liquid Chromatography-Photodiode Array Detection with Thermostatic Ultrasound-Assisted Derivatization.  ACS Omega,  5  (30): (18887–18893).  [PMID:32775890] [10.1021/acsomega.0c02068]
24. Qin Zifei, Jia Mengmeng, Yang Jing, Xing Han, Yin Zhao, Yao Zhihong, Zhang Xiaojian, Yao Xinsheng.  (2020)  Multiple circulating alkaloids and saponins from intravenous Kang-Ai injection inhibit human cytochrome P450 and UDP-glucuronosyltransferase isozymes: potential drug–drug interactions.  Chinese Medicine,  15  (1): (1-18).  [PMID:32655683] [10.1186/s13020-020-00349-3]
25. Zhang Kai, Wang Qiguan, Thota Apparao, Zhang Wenzhi, Chen Jian, Wang Yan, Wu Xinming, Wang Sumin.  (2020)  Flexible 3D hierarchical porous NiCo2O4/CC electrode decorated by nitrogen-doped carbon from polyaniline carbonization for high-performance supercapacitors.  JOURNAL OF MATERIALS SCIENCE,  55  (14): (5982-5993).  [10.1007/s10853-020-04403-1]
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27. Sumin Wang, Kai Zhang, Qiguan Wang, Yaru Fan, Jingwen Shen, Lu Li, Lei Yang, Wenzhi Zhang.  (2019)  Graphene quantum dot-assisted preparation of water-borne reduced graphene oxide/polyaniline: From composite powder to layer-by-layer self-assembly film and performance enhancement.  ELECTROCHIMICA ACTA,  295  (29).  [10.1016/j.electacta.2018.10.135]
28. Meng-Juan Lin, Lei Chen, Zhen-Peng Huang, Hu Qiu, Bao-Ping Yu.  (2018)  Neutrophils injure gallbladder interstitial Cajal-like cells in a guinea pig model of acute cholecystitis.  JOURNAL OF CELLULAR PHYSIOLOGY,  234  (4): (4291-4301).  [PMID:30146704] [10.1002/jcp.27197]
29. Sumin Wang, Lu Li, Qiguan Wang, Yaru Fan, Jingwen Shen, Kai Zhang, Lei Yang, Wenzhi Zhang.  (2018)  Aniline oligomer-modified graphene for enhanced electrochemical performances.  SYNTHETIC METALS,  243  (107).  [10.1016/j.synthmet.2018.06.011]
30. 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]
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34. Shengzheng Guo, Yuechao Cao, Yuxin Zhang, Yan Wang, Zhenguo Gao, Junbo Gong.  (2024)  A Scalable Freeze-Dissolving Approach to Prepare Ultrafine Crystals for Inhalation: Mechanism and Validation.  CRYSTAL GROWTH & DESIGN,  24  (7): (2918-2931).  [10.1021/acs.cgd.4c00018]
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