(1S,4R,6S,14S,18R)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 14-cyclopentyloxycarbonylamino-4-cyclopropanesulfonylaminocarbonyl-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.0^4,6]nonadec-18-yl ester | 850876-87-8

• 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)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 14-cyclopentyloxycarbonylamino-4-cyclopropanesulfonylaminocarbonyl-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.0^4,6]nonadec-18-yl ester
• 英文别名: (2r,6s,13ar,14ar,16as)-6-{[(Cyclopentyloxy)carbonyl]amino}-14a-[(Cyclopropylsulfonyl)carbamoyl]-5,16-Dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-A][1,4]diazacyclopentadecin-2-Yl 3,4-Dihydroisoquinoline-2(1h)-Carboxylate；[(1S,4R,6R,14S,18R)-14-(cyclopentyloxycarbonylamino)-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecan-18-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 850876-87-8
• 化学式: C₃₇H₅₁N₅O₉S
• 分子量: 741.906
• InChiKey: VQZYSHWAKCNHJX-IVYVMHIUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  52
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  189
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION
  申请人：BLATT LAWRENCE M.

  公开号：US20090286843A1

  公开（公告）日：2009-11-19

  The embodiments provide compounds of the general formulas I-XIX, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating flaviviral infection, including 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.

  该实施例提供了一般式I-XIX的化合物，以及包括药物组合物在内的组合物。该实施例还提供了治疗方法，包括治疗黄热病毒感染的方法，包括丙型肝炎病毒感染的方法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化合物或组合物的有效量。
• Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication
  申请人：F. Hoffmann-La Roche Ltd.

  公开号：EP1680137B1

  公开（公告）日：2012-11-21
• US7491794B2
  申请人：——

  公开号：US7491794B2

  公开（公告）日：2009-02-17
• [EN] MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION<br/>[FR] ACYLSULFONAMIDES ET ACIDES CARBOXYLIQUES MACROCYCLIQUES UTILISES EN TANT QU'INHIBITEURS DE LA REPLICATION DU VIRUS DE L'HEPATITE C
  申请人：INTERMUNE INC

  公开号：WO2005037214A2

  公开（公告）日：2005-04-28

  The present invention provides compounds of the general formulas I-IX, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The present invention further provides 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.
• [EN] MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION<br/>[FR] COMPOSES MACROCYCLIQUES INHIBITEURS DE REPLICATION VIRALE
  申请人：INTERMUNE INC

  公开号：WO2005095403A2

  公开（公告）日：2005-10-13

  The embodiments provide macrocylic compounds, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating flaviviral infection, including 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.