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伊福地平, Ca v3.2 通道阻断剂

钙通道抑制剂
  • CAS编号: 111011-63-3
  • 分子式: C34H38N3O7P
  • 分子量: 631.66
  • PubChem编号: 119171
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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
E420611-1ml
1ml 现货 Stock Image

基本描述

英文别名 (+/-)-EFONIDIPINE | 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate | NCGC00182046-01 | 1-tert-butoxycarbonyl-piperidine-4-carboxaldehyde | DB09235 | 2-[
规格或纯度 Moligand™, 10mM in DMSO
英文名称 Efonidipine
生化机理 依福地平(NZ-105)是一种 L 型和 T 型钙通道阻滞剂,可导致血管扩张和心脏自律性降低。它还能抑制肾上腺分泌醛固酮。
储存温度 -80℃储存
运输条件 超低温冰袋运输
作用类型 通道阻滞剂
作用机制 Ca v3.2 通道阻断剂
产品介绍


Information

Efonidipine Efonidipine (NZ-105) is an L- and T-type calcium channel blocker leading to vasodilation and decreased automaticity of the heart. It also suppresses aldosterone secretion from the adrenal.

Targets

T-type calcium channel

In vitro

Although efonidipine is not a specific T-type calcium channe (TTCC) blocker as it could also block L-type calcium channe (LTCC), its efficacy in blocking TTCC is much greater than that of LTCC. Efonidipine exerts an inhibitory effect on aldosterone synthesis and secretion in a human adrenocortical cell line (H295R), an effect that is mediated, at least in part, by suppression of 11-β-hydroxylase and aldosterone synthase expression. Efonidipine also suppresses both Ang II- and K+-induced aldosterone secretion, but it blocks the latter at much lower concentrations than the former.

In vivo

Efonidipine could provide broader beneficial effects including the heart, liver, and plasma, and antioxidant in iron-overload condition in both WT(muβ+⁄+) and HT(muβth-3 ⁄+,) mice.

Cell Research(from reference)

Cell lines:The NCI-H295R human adrenocortical cell line (H295) 

Concentrations:0.3 μM and 3 μM 

Incubation Time:24 h 

产品属性

ALogP 4.956
hba_count 4
HBD Count 1
Rotatable Bond 11

关联靶点(人)

CACNA1H Tclin 电压依赖性T型钙通道亚基α-1H(Voltage-dependent T-type calcium channel subunit alpha-1H) (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)
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

关联靶点(其它种属)

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
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
rep Replicase polyprotein 1ab (378 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

分子类型 小分子
IIUPAC Name 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
INCHI 1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3
InChi Key NSVFSAJIGAJDMR-UHFFFAOYSA-N
Smiles CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5
Isomeric SMILES CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5
分子量 631.66
Reaxy-Rn 5903282
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5903282&ln=

化学和物理性质

DMSO(mg / mL) Max Solubility 100
DMSO(mM) Max Solubility 158.3130165
分子量 631.700 g/mol
XLogP3 5.900
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 9
可旋转键计数Rotatable Bond Count 10
精确质量Exact Mass 631.245 Da
单同位素质量Monoisotopic Mass 631.245 Da
拓扑极表面积Topological Polar Surface Area 123.000 Ų
重原子数Heavy Atom Count 45
形式电荷Formal Charge 0
复杂度Complexity 1170.000
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

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