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Carbetapentane

一种镇咳抗惊厥的sigma激动剂
    级别和纯度:
  • 10mM in DMSO
有货

库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
C425902-1ml
1ml 现货 Stock Image

基本描述

别名 卡百戊烷
英文别名 Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester | MS-25033 | PENTOXYVERINE [WHO-DD] | SDCCGSBI-0050301.P004 | EN300-18551609 | KBio3_001924 | SBI-0050301.P003 | Spectrum2_001412 | 32C726X12W | CHEBI:94484 | PENTOXYVERINE [HSD
规格或纯度 10mM in DMSO
英文名称 Carbetapentane
储存温度 -80℃储存
运输条件 超低温冰袋运输
产品介绍

Carβpentane是σ位的无卵小分子激动剂,可产生镇咳药和抗惊厥药的作用。描述了Carβpentane保护大鼠免受最大的电击诱发的癫痫发作。一项研究表明,Carβpentane对红藻氨酸诱导的神经毒性的减弱被sigma-1受体拮抗剂所取代,这表明Carβpentane通过其sigma位点结合活性产生了神经保护作用。还报道了对毒蕈碱受体的结合活性,尽管Carβpentane不能提供针对NMDA杀伤力的保护,因此不能证明归因于密切相关的镇咳药和惊厥药右美沙芬的NMDA拮抗作用。Carβpentane是KO

Carbetapentane is a non-opiod small molecule agonist of sigma sites, producing antitussive and anticonvulsant effects. Carbetapentane is described to protect rats against maximal electroshock-induced seizures. A study demonstrates that the attenuation of kainic acid-induced neurotoxicity by Carbetapentane is overriden by a sigma-1 receptor antagonist, indicating that Carbetapentane produces neuroprotection through its sigma site binding activity. Binding activity on muscarinic receptors is also reported, though Carbetapentane did not provide protection against NMDA lethality and therefore does not demonstrate the NMDA-antagonist action ascribed to the closely related antitussive and anticonvulsant Dextromethorphan . Carbetapentane is an inhibitor of KOR-3 and an activator of Sigma Receptor.

产品属性

pKa值 pKₐ: 9.69 (Predicted)
Ki Data [3H]- -(+)3 PPP: Ki= 0.01 μM; [3H]- dextromethorphan : Ki= 0.01 μM; [3H]pentazocine radioligand : Ki= 0.02 μM; [3H]- - (+) pentazocine : Ki= 0.03 μM
IC50 [3H]- (+) - pentazocine : IC₅₀= 0.03 μM (rat); Antiproliferative activity against mouse neural precursor cells by MTT assay: EC5050 = 0.77 μM (mouse)

关联靶点(人)

SIGMAR1 Tclin Sigma 非阿片类细胞内受体 1(Sigma non-opioid intracellular receptor 1) (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)
PRCP Tchem 溶酶体Pro-X羧肽酶(Lysosomal Pro-X carboxypeptidase) (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)
CHRM1 Tclin 毒蕈碱乙酰胆碱受体 M1(Muscarinic acetylcholine receptor M1) (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)
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
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
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
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
THRB Tclin Thyroid hormone receptor beta-1 (7926 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRCP Tchem Lysosomal Pro-X carboxypeptidase (567 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GBA1 Tclin Beta-glucocerebrosidase (14647 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SH-SY5Y (11521 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HEK293 (82097 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTT Tchem Huntingtin (19182 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC22A1 Tchem Solute carrier family 22 member 1 (646 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ATXN2 Tbio Ataxin-2 (54410 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 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)

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
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
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
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
lef Anthrax lethal factor (7585 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Impa1 Inositol monophosphatase 1 (16203 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Grin1 Glutamate NMDA receptor (6467 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Tmem97 Sigma intracellular receptor 2 (922 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 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

EC号 201-014-1
分子类型 小分子
IIUPAC Name 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
INCHI 1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
InChi Key CFJMRBQWBDQYMK-UHFFFAOYSA-N
Smiles CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2
Isomeric SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2
分子量 333.47
Beilstein号 2299701
Reaxy-Rn 2299701
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2299701&ln=

化学和物理性质

折光率 n20D1.52 (Predicted)
沸点 ~435.5° C at 760 mmHg (Predicted)
熔点 138.42° C (Predicted)
分子量 333.500 g/mol
XLogP3 3.800
氢键供体数Hydrogen Bond Donor Count 0
氢键受体数Hydrogen Bond Acceptor Count 4
可旋转键计数Rotatable Bond Count 11
精确质量Exact Mass 333.23 Da
单同位素质量Monoisotopic Mass 333.23 Da
拓扑极表面积Topological Polar Surface Area 38.800 Ų
重原子数Heavy Atom Count 24
形式电荷Formal Charge 0
复杂度Complexity 356.000
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

安全和危险性(GHS)

RTECS GY3500000
Merck Index 1.82916666666667

质检证书(CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:

溶液计算器