145576-25-6

• 常用中文名：4'-乙酰基辛伐他汀
• 常用英文名：Acetyl simvastatin
• CAS号：145576-25-6
• 分子式：C₂₇H₄₀O₆
• 分子量：460.603
• 相关类别： 研究领域 其他
• 发布时间：2018-03-29 08:00:00
• 更新时间：2026-07-01 01:56:32
• 4-Acetylsimvastatin 是一种乙酰基化的 simvastatin。Simvastatin 是一种竞争性的 HMG-CoA reductase 抑制剂,Ki 值为 0.2 nM。

名称

• 中文名: 辛伐他汀杂质B
• 英文名: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
• 中文别名: 4'-乙酰辛伐他汀; 乙酰基辛伐他汀; 乙酰辛伐他汀; 辛伐他汀杂B; 辛伐他汀杂质02; 辛伐他汀杂质B(乙酰辛伐他汀); 辛伐他汀乙酸酯; 辛伐他汀相关化合物B; 辛伐他汀杂质B(乙酰基辛伐他汀); 辛伐他汀杂质B 标准品; 辛伐他汀杂质2(辛伐他汀杂质B)
• 英文别名: Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester; 4Acetylsimvastatin,4 Acetylsimvastatin; Butanoic acid,2,2-dimethyl-,(1S,3R,7S,8S,8-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenylester; Simvastatin Impurity BQ: What is Simvastatin Impurity B Q: What is the CAS Number of Simvastatin Impurity B Q: What is the storage condition of Simvastatin Impurity B Q: What e the applications of Simvastatin Impurity B; (1S,3R,7S,8S,8-8-[2-[(2R,4R)-4-(; SiMvastatin IMpurity B (Acetyl SiMvastatin); SiMvastatin IMpurity-B; Simvastatin Impurity 2（-B）; [(1S,3R,7S,8S,8-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; Simvastatin Impurity 2(Simvastatin Impurity B); SiMvastatin Acetate; Simvastatin Impurity B; (1S,3R,7S,8S,8-8-[2-[(2R,4R)-4-(Acetyloxy)-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-3,7-dimethyl-1,2; ACETYLSIMVASTATIN; Acetyl Simvastatin ((1S,3R,7S,8S,8-8-{2-[(2R,4R)-4-(acetoxy)-6-oxotetrahydro-2H-pyran-2-yl]ethyl; Simvastatin Impurity B（）; 2,2-DiMethylbutanoic Acid (1S,3R,7S,8S,8-8-[2-[(2R,4R)-4-(Acetyloxy)tetrahydro -6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-diMethyl-1-naphthalenyl Ester; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-Acetoxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate; (1S,3R,7S,8S,8-8-[2-[(2R,4R)-4-(acetyloxy)-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate; (1S,3R,7S,8S,8-8-(2-((2R,4R)-4-acetoxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate; Simvastatin Impurity 2; 4'-Acetyl Simvastatin; Simvastatin EP Impurity B; Simvastatin Impurity B/ Simvastatin Related Compound B (Simvastatin Acetate Ester); 4'-Acetyl simvastatin

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 575.2±50.0 °C at 760 mmHg
• 分子式: C₂₇H₄₀O₆
• 分子量: 460.603
• 闪点: 243.2±30.2 °C
• 精确质量: 460.282501
• PSA: 78.90000
• LogP: 5.31
• 蒸汽压: 0.0±1.6 mmHg at 25°C
• 折射率: 1.520
• 储存条件: 2-8°C，密封，干燥

生物活性

• 描述: 4-Acetylsimvastatin 是一种乙酰基化的 simvastatin。Simvastatin 是一种竞争性的 HMG-CoA reductase 抑制剂,Ki 值为 0.2 nM。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Brian Morgan, ey al. Methods for Making Simvastatin and Intermediates. US20110059493A1.

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36

合成路线

145576-24-5 29138-64-5 ~97% 210980-68-0 850920-00-2 详细

文献：WO2005/40107 A2, ; Page/Page column 41-43; 80-82 ;

145576-24-5 29138-64-5 ~97% 145576-25-6

文献：DIVERSA CORPORATION Patent: WO2005/40107 A2, 2005 ; Location in patent: Page/Page column 31; 61 ;

145576-24-5 850920-00-2 81189-92-6 29138-64-5 151006-15-4 详细

文献：WO2005/40107 A2, ; Page/Page column 51-53 ;

145576-24-5 5856-77-9 ~43% 210980-68-0 145576-25-6 详细

文献：WO2005/40107 A2, ; Page/Page column 45; 83 ;

145576-24-5 5856-77-9 ~85% 145576-25-6

文献：DIVERSA CORPORATION Patent: WO2005/40107 A2, 2005 ; Location in patent: Page/Page column 66; 68 ;

上下游产品

上游产品  4
29138-64-5 81189-92-6 151006-15-4 5856-77-9
下游产品  3
210980-68-0 79902-63-9 121009-77-6