(1S,2S,5R)-6,6-dichloro-3-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | 864947-22-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (1S,2S,5R)-6,6-dichloro-3-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)heptan-3-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
• CAS: 864947-22-8
• 化学式: C₃₆H₅₆Cl₂N₆O₇
• 分子量: 755.783
• InChiKey: PQXAPYPANZGMNM-KWRXDXPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  51
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  174
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor
  申请人：White E. Ronald

  公开号：US20070021351A1

  公开（公告）日：2007-01-25

  Compositions and therapeutic combinations are provided including at least one compound selected from the group consisting of compounds of Formulae I to XXVI as defined herein as well as methods of treatment, prevention or amelioration of one or more symptoms of hepatitis C, treating disorders associated with HCV virus, modulating activity of HCV protease, in which liver to plasma concentration ratio of the compound ranges from about 2:1 to about 10:1.

  提供了包括至少一种从本文中定义的I到XXVI式化合物组中选择的化合物的组合物和治疗组合，以及治疗、预防或改善丙型肝炎的一个或多个症状的方法，治疗与HCV病毒相关的疾病，调节HCV蛋白酶活性，其中化合物的肝脏到血浆浓度比范围约为2:1至约为10:1。
• Pharmaceutical formulations and methods of treatment using the same
  申请人：Malcolm A. Bruce

  公开号：US20070010431A1

  公开（公告）日：2007-01-11

  Pharmaceutical formulations containing at least one compound of Formulae I-XXVI herein and at least one surfactant. Pharmaceutically acceptable carriers and excipients may also be included in the formulations. The formulations of the present invention are suited for use in single unit dosages.

  含有本文中的至少一种I-XXVI式化合物和至少一种表面活性剂的制药配方。 制剂中还可以包括药用可接受的载体和辅料。 本发明的制剂适用于单剂量使用。
• Method of treating interferon non-responders using HCV protease inhibitor
  申请人：Albrecht K. Janice

  公开号：US20070004635A1

  公开（公告）日：2007-01-04

  A method of treating, preventing or ameliorating one or more symptoms associated with hepatitis C virus (HCV) in a patient in whom either the HCV is of Genotype 1 and/or the patient was previously treated with interferon and the previous interferon therapy was ineffective to treat the one or more symptoms associated with HCV, comprising administering to such a patient an effective amount of at least one compound of formulae I-XXVI of which the following structural formula is exemplary or a pharmaceutically acceptable salt, solvate or ester thereof. Optional combined administration of said at least one compound with an interferon or pegylated interferon and/or ribaviron is also contemplated.
• Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus
  申请人：Chen X. Kevin

  公开号：US20070093430A1

  公开（公告）日：2007-04-26

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.
• US7173057B2
  申请人：——

  公开号：US7173057B2

  公开（公告）日：2007-02-06