N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-({8-bromo-2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-methoxy-4-quinolinyl}oxy)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-L-prolinamide | 1300731-80-9

• 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: N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-({8-bromo-2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-methoxy-4-quinolinyl}oxy)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-L-prolinamide
• 英文别名: faldaprevir；(1R,2S)-1-[[(2S,4S)-4-[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
• CAS: 1300731-80-9
• 化学式: C₄₀H₄₉BrN₆O₉S
• 分子量: 869.834
• InChiKey: LLGDPTDZOVKFDU-OTLZBSLQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  57
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  227
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-({8-bromo-2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-methoxy-4-quinolinyl}oxy)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-L-prolinamide 在 水 、 sodium hydroxide 作用下， 以 丙酮 为溶剂， 反应 0.67h， 以12.1 g的产率得到sodium;(1R,2S)-1-[[(2S,4S)-4-[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate
  参考文献：
  名称：

  US2016/206678

  摘要：

  公开号：

文献信息

• CRYSTALLINE FORMS OF A POTENT HCV INHIBITOR
  申请人：BERKENBUSCH Thilo

  公开号：US20100093792A1

  公开（公告）日：2010-04-15

  This invention relates to novel crystalline forms of the following Compound (1), and the sodium salt thereof, and methods for the preparation thereof, pharmaceutical compositions thereof, and their use in the treatment of Hepatitis C Viral (HCV) infection:

  本发明涉及以下化合物（1）及其钠盐的新晶体形式，其制备方法，制药组合物以及它们在治疗丙型肝炎病毒（HCV）感染方面的应用。
• COMBINATION THERAPY FOR TREATING HCV INFECTION
  申请人：BOECHER Wulf Otto

  公开号：US20120135949A1

  公开（公告）日：2012-05-31

  The present invention relates to therapeutic combinations comprising (a) Compound (1), or a pharmaceutically acceptable salt thereof, as herein described, (b) Compound (2), or a pharmaceutically acceptable salt thereof, as herein described, and optionally (c) ribavirin, and methods of using such therapeutic combinations for treating HCV infection or alleviating one or more symptoms thereof in a patient.

  本发明涉及治疗组合物，包括(a)如本文所述的化合物(1)或其药学上可接受的盐，(b)如本文所述的化合物(2)或其药学上可接受的盐，以及可选地(c)利巴韦林，并且使用这种治疗组合物治疗HCV感染或缓解患者的一个或多个症状的方法。
• HCV COMBINATION THERAPY
  申请人：Kukolj George

  公开号：US20130029904A1

  公开（公告）日：2013-01-31

  Aspects of this invention include methods comprising administering a combination of a Compound (1) below, including particular en crystalline forms thereof and pharmaceutically acceptable salts thereof, with at least one further selected HCV inhibiting compound as described herein for the treatment of Hepatitis C Viral (HCV) infection The methods can be conducted administering the Compound (1) and the at least one further selected HCV inhibiting compound separately or together, including as a regimen of treatment.
• Pharmaceutical Composition Of A Potent HCV Inhibitor For Oral Administration
  申请人：CHEN Feng-Jing

  公开号：US20150038532A1

  公开（公告）日：2015-02-05

  A pharmaceutical composition of the following Compound (1), a potent hepatitis C viral (HCV) inhibitor, or a pharmaceutically acceptable salt thereof, for oral administration.
• SOLID ORAL DOSAGE FORMULATION OF HCV INHIBITOR IN THE AMORPHOUS STATE
  申请人：TELANG Chitra

  公开号：US20160185767A1

  公开（公告）日：2016-06-30

  Described herein are solid oral dosage forms containing Compound (1) or a pharmaceutically acceptable salt thereof (Formula 1), wherein Compound (1) is in the amorphous state. Also described are solid oral dosage forms comprising a composition of Compound (1) in the amorphous state and one or more pharmaceutically acceptable excipients. Compound (1) is a specific inhibitor of the hepatitis C virus (HCV) NS3/4A serine protease. Thus, also described herein are methods for using the described solid oral dosage forms in the treatment of HCV infection. Also described are processes for the manufacture of the solid oral dosage forms.