[(1S,4R,6S,14S,18R)-14-(carbamothioylamino)-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

• 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: [(1S,4R,6S,14S,18R)-14-(carbamothioylamino)-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
• 化学式: C₃₁H₃₉FN₆O₇S₂
• 分子量: 690.817
• InChiKey: BWPZAXIFEYRUIZ-FKDUQBHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  47
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  221
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-溴-3-甲基丁醛 、 [(1S,4R,6S,14S,18R)-14-(carbamothioylamino)-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以60%的产率得到(2R,6S,13aS,14aR,16aS,Z)-14a-(cyclopropylsulfonylcarbamoyl)-6-(5-isopropyl-thiazol-2-ylamino)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoroisoindoline-2-carboxylate
  参考文献：
  名称：

  WO2008/137779

  摘要：

  公开号：

文献信息

• NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION
  申请人：Blatt Lawrence M.

  公开号：US20120208995A1

  公开（公告）日：2012-08-16

  The embodiments provide compounds of the general Formulae I through general Formula VIII, 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至一般式VIII的化合物，以及包括药物组合物在内的组合物。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。
• Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication
  申请人：Blatt Lawrence M.

  公开号：US20090148407A1

  公开（公告）日：2009-06-11

  The embodiments provide compounds of the general Formulae (I) through general Formula (VIII), 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.

  本实施例提供通式（I）到通式（VIII）的化合物，以及包括制药组合物在内的组合物，其中包括主体化合物。本实施例还提供治疗方法，包括治疗丙型肝炎病毒感染和治疗肝纤维化的方法，通常涉及向需要治疗的个体施用所述主体化合物或组合物的有效量。
• Novel macrocyclic inhibitors of Hepatitis C virus replication
  申请人：Intermune, Inc.

  公开号：EP2103623A2

  公开（公告）日：2009-09-23

  The embodiments provide compounds of the general Formulae (I) through general Formula (VIII), 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.

  本发明的实施方案提供了通式(I)至通式(VIII)的化合物，以及包含主题化合物的组合物，包括药物组合物。本发明的实施方案进一步提供了治疗方法，包括治疗丙型肝炎病毒感染的方法和治疗肝纤维化的方法，这些方法一般涉及向有需要的个体施用有效量的主题化合物或组合物。
• Macrocyclic inhibitors of Hepatitis C virus replication
  申请人：Intermune, Inc.

  公开号：EP2305695A2

  公开（公告）日：2011-04-06

  The embodiments provide compounds of the general Formulae I through general Formula VIII, 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.

  本发明的实施方案提供了通式I至通式VIII的化合物，以及包含主题化合物的组合物，包括药物组合物。本发明的实施方案进一步提供了治疗方法，包括治疗丙型肝炎病毒感染的方法和治疗肝纤维化的方法，这些方法一般涉及向有需要的个体施用有效量的主体化合物或组合物。
• US8299021B2
  申请人：——

  公开号：US8299021B2

  公开（公告）日：2012-10-30