(1S,5R)-2-((R)-2-cyclohexyl-2-hydroxy-acetyl)-2-aza-bicyclo[3.1.0]hexane-1-carboxylic acid-5-chloro-2-tetrazol-1-yl-benzylamide | 1097133-38-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (1S,5R)-2-((R)-2-cyclohexyl-2-hydroxy-acetyl)-2-aza-bicyclo[3.1.0]hexane-1-carboxylic acid-5-chloro-2-tetrazol-1-yl-benzylamide
• 英文别名: (1S,5R)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-2-azabicyclo[3.1.0]hexane-1-carboxamide
• CAS: 1097133-38-4
• 化学式: C₂₂H₂₇ClN₆O₃
• 分子量: 458.948
• InChiKey: CZLLQTSKOUJVET-PERKRYKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• New Aza-Bicyclohexane Compounds Useful As Inhibitors Of Thrombin
  申请人：Branalt Jonas

  公开号：US20090012087A1

  公开（公告）日：2009-01-08

  This invention relates to novel pharmaceutically useful compounds of formula (I), in particular compounds that are competitive inhibitors of trypsin-like serine proteases, especially thrombin, their use as medicaments, pharmaceutical compositions containing them and synthetic routes to their production.

  这项发明涉及具有以下结构的新型药用化合物（I），特别是作为胰蛋白酶样丝氨酸蛋白酶的竞争性抑制剂，尤其是凝血酶，它们作为药物的用途，包含它们的药物组合物以及它们的合成路线。
• [EN] NEW AZA-BICYCLOHEXANE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN<br/>[FR] NOUVEAUX COMPOSÉS AZA-BICYCLOHEXANE UTILES EN TANT QU'INHIBITEURS DE LA THROMBINE
  申请人：ASTRAZENECA AB

  公开号：WO2009004383A2

  公开（公告）日：2009-01-08

  This invention relates to novel pharmaceutically useful compounds of formula (I), in particular compounds that are competitive inhibitors of trypsin-like serine proteases, especially thrombin, their use as medicaments, pharmaceutical compositions containing them and synthetic routes to their production.