(1R,2R)-N-(cyanomethyl)-2-[[4-(dimethylamino)phenyl]sulfanylmethyl]cyclohexane-1-carboxamide

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (1R,2R)-N-(cyanomethyl)-2-[[4-(dimethylamino)phenyl]sulfanylmethyl]cyclohexane-1-carboxamide
• 化学式: C₁₈H₂₅N₃OS
• 分子量: 331.5
• InChiKey: LXVHWVUKRZIFNZ-WMLDXEAASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  81.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Cyanoalkylamino derivatives as protease inhibitors
  申请人：Black Cameron

  公开号：US20050014941A1

  公开（公告）日：2005-01-20

  The present invention is directed to novel cyanoalkylamino derivatives that are inhibitors of cysteine protease such as cathepsins K, S, B and L, in particular cathepsin K Pharmaceutical composition comprising these compounds, method of treating diseases mediated by unregulated cysteine protease activity, in particular cathepsin K utilizing these compounds and methods of preparing these compounds are also disclosed.

  本发明涉及一种新型的氰基烷基氨基衍生物，其为半胱氨酸蛋白酶抑制剂，例如cathepsin K、S、B和L，特别是cathepsin K。本发明还涉及包含这些化合物的药物组合物，治疗由不受调节的半胱氨酸蛋白酶活性介导的疾病的方法，特别是利用这些化合物治疗cathepsin K，以及制备这些化合物的方法。
• CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS
  申请人：Merck Frosst Canada Ltd.

  公开号：EP1446115B1

  公开（公告）日：2008-02-27
• EP1446115A4
  申请人：——

  公开号：EP1446115A4

  公开（公告）日：2005-02-02
• US7371747B2
  申请人：——

  公开号：US7371747B2

  公开（公告）日：2008-05-13
• [EN] CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS<br/>[FR] DERIVES CYANOALKYLAMINO UTILISES COMME INHIBITEURS DE LA PROTEASE
  申请人：MERCK FROSST CANADA INC

  公开号：WO2003041649A2

  公开（公告）日：2003-05-22

  The present invention is directed to novel cyanoalkylamino derivatives that are inhibitors of cysteine protease such as cathepsins K, S, B and L, in particular cathepsin K. Pharmaceutical composition comprising these compounds, method of treating diseases mediated by unregulated cysteine protease activity, in particular cathepsin K, utilizing these compounds and methods of preparing these compounds are also disclosed.