(1R, 2R)-N-[cyano (2-methoxyphenyl) methyl]-2-(3, 4-dihydroisoquinolin-2 (1H)-ylcarbonyl) cyclohexane carboxamide | 639792-02-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (1R, 2R)-N-[cyano (2-methoxyphenyl) methyl]-2-(3, 4-dihydroisoquinolin-2 (1H)-ylcarbonyl) cyclohexane carboxamide
• 英文别名: (1R,2R)-N-[cyano-(2-methoxyphenyl)methyl]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxamide
• CAS: 639792-02-2
• 化学式: C₂₆H₂₉N₃O₃
• 分子量: 431.535
• InChiKey: ZQEBQYJJCWPFJC-OJOWTSHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  82.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Novel compounds
  申请人：Bailey Andrew

  公开号：US20050245522A1

  公开（公告）日：2005-11-03

  The present invention relates to compounds and compositions for treating diseases associated with cysteine protease activity. The compounds are reversible inhibitors of cysteine proteases S, K, F, L and B. Of particular interest are diseases associated with Cathepsin S. In addition this invention also discloses processes for the preparation of such inhibitors. (I) in which: A is a 6-membered ring optionally containing a double bond and optionally containing an oxygen atom or NR group in the ring;

  本发明涉及用于治疗与半胱氨酸蛋白酶活性相关的疾病的化合物和组合物。这些化合物是半胱氨酸蛋白酶S、K、F、L和B的可逆抑制剂。特别感兴趣的是与Cathepsin S相关的疾病。此外，本发明还公开了制备这些抑制剂的过程。(I)，其中：A是一个6元环，可选地含有双键，并且环中可选地含有一个氧原子或NR基团；
• Novel Compounds
  申请人：Bailey Andrew

  公开号：US20080234274A1

  公开（公告）日：2008-09-25

  The present invention relates to compounds and compositions for treating diseases associated with cysteine protease activity. The compounds are reversible inhibitors of cysteine proteases S, K, F, L and B. Of particular interest are diseases associated with Cathepsin S. In addition this invention also discloses processes for the preparation of such inhibitors.

  本发明涉及用于治疗与半胱氨酸蛋白酶活性相关的疾病的化合物和组合物。这些化合物是半胱氨酸蛋白酶S、K、F、L和B的可逆抑制剂。特别感兴趣的是与猫hepsin S相关的疾病。此外，本发明还揭示了制备这些抑制剂的过程。
• Use of nitrile derivatives as medicament.
  申请人：AstraZeneca AB

  公开号：EP1532124B1

  公开（公告）日：2006-07-19