1,3-bis(propan-2-yl) 2-(2H-1,3-dithiol-2-ylidene)propanedioate

• ChemBase编号: 72534
• 分子式: C12H16O4S2
• 平均质量: 288.38304
• 单一同位素质量: 288.04900099
• SMILES: C(=O)(C(=C1SC=CS1)C(=O)OC(C)C)OC(C)C
• Canonical SMILES: CC(OC(=O)C(=C1SC=CS1)C(=O)OC(C)C)C
• InChI: InChI=1S/C12H16O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h5-8H,1-4H3
• InChIKey: YPIQVCUJEKAZCP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3-bis(propan-2-yl) 2-(2H-1,3-dithiol-2-ylidene)propanedioate
• IUPAC传统名: malotilate
• 别名: Malotilate

登记号

• CAS号: 59937-28-9
• PubChem SID: 162037459
• PubChem CID: 4006

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.0405896
• LogD (pH = 7.4): 3.0405896
• Log P: 3.0405896
• 摩尔折射率: 83.9415 cm^3
• 极化性: 29.358456 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base

详细说明

Selleck Chemicals - S1137

Research Area: Inflammation
Biological Activity:
Malotilate is a liver protein metabolism, improved compound. Malotilate is used in the treatment of liver disease and Malotilate can activate the liver, inhibit the progress of liver fibrosis. Malotilate is also applicable to chronic hepatitis and cirrhosis and late period of compensatory cirrhosis have caused by schistosomiasis hypoalbuminemia, etc. [1]

参考文献

• Keiding S et al. J Hepatol. 1994 Apr;20(4):454-60