{4-(3,5-dimethoxy-phenyl)-6-[5-((S)-3-hydroxy-pyrrolidin-1-yl)-2-trifluoromethyl-phenyl]-7-oxo-2,3,6,7-tetrahydro-pyrrolo[2,3-d]pyridazin-1-yl}-acetonitrile | 937189-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: {4-(3,5-dimethoxy-phenyl)-6-[5-((S)-3-hydroxy-pyrrolidin-1-yl)-2-trifluoromethyl-phenyl]-7-oxo-2,3,6,7-tetrahydro-pyrrolo[2,3-d]pyridazin-1-yl}-acetonitrile
• 英文别名: 2-[4-(3,5-dimethoxyphenyl)-6-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-7-oxo-2,3-dihydropyrrolo[2,3-d]pyridazin-1-yl]acetonitrile
• CAS: 937189-98-5
• 化学式: C₂₇H₂₆F₃N₅O₄
• 分子量: 541.53
• InChiKey: PQKFXHCMYXIRED-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF
  申请人：Japan Tobacco, Inc.

  公开号：EP1953147A1

  公开（公告）日：2008-08-06

  The present invention aims at providing a novel heterocyclic compound having HCV entry inhibitory activity and the pharmaceutical use thereof. The present invention provides a therapeutic agent for hepatitis C comprising a heterocyclic compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof as an active ingredient: wherein Q1 is -N=, etc., Q2 is -N-, etc., Q3 is -N=, etc., Q4 is -N-, etc., Q5 is -N-, etc., R1 is a hydrogen atom, etc., R2 is a hydrogen atom, etc., ring A is a monocyclic aryl group optionally having substituent(s), etc., and ring B is a monocyclic aryl group optionally having substituent(s), etc.

  本发明旨在提供一种具有HCV进入抑制活性的新型杂环化合物及其药物用途。本发明提供了一种治疗丙型肝炎的治疗剂，其包括以下式[1]所表示的杂环化合物或其药学上可接受的盐作为活性成分：其中Q1为-N=等，Q2为-N-等，Q3为-N=等，Q4为-N-等，Q5为-N-等，R1为氢原子等，R2为氢原子等，环A为单环芳基，可选地具有取代基等，环B为单环芳基，可选地具有取代基等。