8-(diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride

• ChemBase编号: 104752
• 分子式: C22H38ClNO5
• 平均质量: 431.99382
• 单一同位素质量: 431.243851
• SMILES: Cl.CCN(CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1
• Canonical SMILES: CCN(CCCCCCCCOC(=O)c1cc(OC)c(c(c1)OC)OC)CC.Cl
• InChI: InChI=1S/C22H37NO5.ClH/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4;/h16-17H,6-15H2,1-5H3;1H
• InChIKey: KFJZVXKPPQIYCG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-(diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride
• IUPAC传统名: 8-(diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride
• 别名: 3,4,5-三甲氧基苯甲酸(8-二乙氨基正辛基)酯 盐酸盐; TMB 8 hydrochloride; TMB-8 · HCl; 8-(Diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride; TMB-8; 8-(Diethylamino)octyl-3,4,5-trimethoxybenzoate; 3,4,5-TRIMETHOXYBENZOIC ACID 8-(DIETHYLAMINO) OCTYL ESTER HYDROCHLORIDE; 3,4,5-Trimethoxybenzoic Acid 8-(Diethylamino)octyl Ester, Hydrochloride

登记号

• CAS号: 53464-72-5
• EC号: 258-574-5
• MDL号: MFCD00012502
• Beilstein号: 5466611
• PubChem SID: 24899933; 162091850
• PubChem CID: 6917843

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.1102437
• LogD (pH = 7.4): 1.7671113
• Log P: 4.5915666
• 摩尔折射率: 112.9032 cm^3
• 极化性: 44.087944 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Methanol
• 外观: White Solid
• 熔点: 88-89°C; 94-97 °C(lit.)

安全信息

• 保存条件: -20°C Freezer; Room Temperature (15-30°C)
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 97%; 98%
• 线性分子式: (CH3O)3C6H2CO2(CH2)8N(C2H5)2 · HCl

详细说明

MP Biomedicals - 02157064

Hydrochloride
Purity: 98%
Inhibits intracellular calcium mobilization.

Sigma Aldrich - 861804

Application

• Pharmacologically active inhibitor of hepatitis C virus life cycle1

Sigma Aldrich - T111

包装
25 mg in poly bottle
Application

• Pharmacologically active inhibitor of hepatitis C virus life cycle1

Toronto Research Chemicals - T795650

A calcium antagonist and a protein kinase C inhibitor.

参考文献

• Chiou, C.Y., et al., Br. J. Pharmacol. , 553 : 279, (1985).
• Donowitz, M., et al., Am. J. Physiol. , 250 : G691, (1986).
• Yamada, Y., et al.: Neurosic. Lett., 90, 338 (1988)
• Kojima, I., et al.: Biochem. J., 232, 87 (1985)