(2'R,11R,14S,17R,25E)-13-[(2S)-2-amino-3,3-dimethylbutanoyl]-2'-ethyl-20,20-dioxo-30,34-di(propan-2-yl)spiro[10-oxa-20lambda6,32-dithia-8,13,16,19,31,34-hexazapentacyclo[27.2.1.16,9.111,14.02,7]tetratriaconta-1(31),2(7),3,5,8,25,29-heptaene-17,1'-cyclopropane]-15,18-dione | 1365749-64-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2'R,11R,14S,17R,25E)-13-[(2S)-2-amino-3,3-dimethylbutanoyl]-2'-ethyl-20,20-dioxo-30,34-di(propan-2-yl)spiro[10-oxa-20lambda6,32-dithia-8,13,16,19,31,34-hexazapentacyclo[27.2.1.16,9.111,14.02,7]tetratriaconta-1(31),2(7),3,5,8,25,29-heptaene-17,1'-cyclopropane]-15,18-dione
• 英文别名: (2'R,11R,14S,17R,25E)-13-[(2S)-2-amino-3,3-dimethylbutanoyl]-2'-ethyl-20,20-dioxo-30,34-di(propan-2-yl)spiro[10-oxa-20λ6,32-dithia-8,13,16,19,31,34-hexazapentacyclo[27.2.1.16,9.111,14.02,7]tetratriaconta-1(31),2(7),3,5,8,25,29-heptaene-17,1'-cyclopropane]-15,18-dione
• CAS: 1365749-64-9
• 化学式: C₄₁H₅₉N₇O₆S₂
• 分子量: 810.095
• InChiKey: DJGMSXNHPDNLFC-CFGPVQSGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  56
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  215
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION
  申请人：Buckman Brad

  公开号：US20120094897A1

  公开（公告）日：2012-04-19

  The embodiments provide compounds of the general Formulae I, and II, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  本实施例提供了一般式I和II的化合物，以及包括药物组合物在内的组合物。本实施例还提供了治疗方法，包括治疗丙型肝炎病毒感染和治疗肝纤维化的方法，通常涉及向需要的个体施用所述化合物或组合物的有效量的方法。