3-{2-[4-(diphenylmethyl)piperazin-1-yl]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

• ChemBase编号: 70516
• 分子式: C35H38N4O6
• 平均质量: 610.69942
• 单一同位素质量: 610.27913496
• SMILES: C1(=C(C(C(=C(N1)C)C(=O)OC)c1cc(ccc1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C
• Canonical SMILES: COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3
• InChIKey: ANEBWFXPVPTEET-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-{2-[4-(diphenylmethyl)piperazin-1-yl]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• IUPAC传统名: manidipine
• 别名: 3-(2-(4-Benzhydrylpiperazin-1-yl)ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; Manyper; Artedil; Manivasc; Iperten; Manidipine; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-[4-(Diphenylmethyl)-1-piperazinyl]ethyl Methyl Ester

登记号

• CAS号: 89226-50-6
• MDL号: MFCD00871291
• PubChem SID: 162036231
• PubChem CID: 4008

理论计算性质

• Acid pKa: 19.468227
• 质子受体: 7
• 质子供体: 1
• LogD (pH = 5.5): 2.5662723
• LogD (pH = 7.4): 4.3405566
• Log P: 5.189972
• 摩尔折射率: 174.1251 cm^3
• 极化性: 66.449524 Å^3
• 极化表面积: 114.25 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Light Yellow Solid
• 熔点: 125-128°C

安全信息

• 保存条件: -20°C; -20°C Freezer
• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95+%; 98%
• 成盐信息: Free Base

详细说明

Selleck Chemicals - S2481

Research Area: Cardiovascular Disease
Biological Activity:
Manidipine (Manyper) is a lipophilic, third-generation, highly vasoselective dihydropyridine calcium antagonist with an IC50 of 2.6 nM. It causes systemic vasodilation by inhibiting the voltage-dependent calcium inward currents in smooth muscle cells. It is used clinically as an antihypertensive. [1][2] At a holding potential of −37 mV, manidipine decreased the Ca2+ current at concentrations above 0.1 nM, and abolished it at 100 nM. The voltage-dependent effect of manidipine on the Ca2+ current may explain the weak negative inotropism of manidipine in ventricular muscles, and provide an electrophysiological basis for its vascular selectivity. [3]References on Manidipine (Manyper)[1] http://en.wikipedia.org/wiki/Manidipine, ,

Toronto Research Chemicals - M164000

A dihydropyridine calcium channel blocker. Antihypertensive.

参考文献

• Cheer SM et al. Drugs. 2001;61(12):1777-99.
• Meguro, K., et al.: Chem. Pharm. Bull., 33, 3787 (1985)
• Mizuno, K., et al.: Curr. Ther. Res., 52, 248 (1992)