(S)-N-[(S)-1-(3-Ethyl-1,2,4-oxadiazole-5-carbonyl)-propyl]-4-morpholin-4-yl-4-oxo-2-[2-(propane-2-sulfonyl)-ethyl]-butyramide | 537706-74-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (S)-N-[(S)-1-(3-Ethyl-1,2,4-oxadiazole-5-carbonyl)-propyl]-4-morpholin-4-yl-4-oxo-2-[2-(propane-2-sulfonyl)-ethyl]-butyramide
• 英文别名: (2S)-N-[(2S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4-morpholin-4-yl-4-oxo-2-(2-propan-2-ylsulfonylethyl)butanamide
• CAS: 537706-74-4
• 化学式: C₂₁H₃₄N₄O₇S
• 分子量: 486.59
• InChiKey: TUEFPTXEEYLQFI-CVEARBPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  157
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• Novel compounds and compositions as cathepsin inhibitors
  申请人：——

  公开号：US20030105099A1

  公开（公告）日：2003-06-05

  The present invention relates to novel cathepsin S inhibitors, the pharmaceutically acceptable salts and N-oxides thereof, their uses as therapeutic agents and the methods of their making.

  本发明涉及新型卡特普西林S抑制剂、其药学上可接受的盐和N-氧化物，它们作为治疗剂的用途以及它们的制备方法。
• MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS
  申请人：Aventis Pharmaceuticals, Inc.

  公开号：EP1515726A1

  公开（公告）日：2005-03-23
• CARBOCYCLIC NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE
  申请人：Merck & Co., Inc.

  公开号：EP1515971A2

  公开（公告）日：2005-03-23
• US7030116B2
  申请人：——

  公开号：US7030116B2

  公开（公告）日：2006-04-18
• [EN] CARBOCYCLIC NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE<br/>[FR] DERIVES DE NUCLEOSIDES CARBOCYCLIQUES UTILISES COMME INHIBITEURS DE L'ARN POLYMERASE ARN-DEPENDANTE VIRALE
  申请人：MERCK & CO INC

  公开号：WO2003105770A2

  公开（公告）日：2003-12-24

  The present invention provides carbocyclic nucleoside compounds and certain derivatives thereof which are inhibitors of RNA-dependent RNA viral polymerase. These compounds are inhibitors of RNA-dependent RNA viral replication and are useful for the treatment of RNA-dependent RNA viral infection. They are particularly useful as inhibitors of hepatitis C virus (HCV) NS5B polymerase, as inhibitors of HCV replication, and/or for the treatment of hepatitis C infection. The invention also describes pharmaceutical compositions containing such carbocyclic nucleoside compounds alone or in combination with other agents active against RNA-dependent RNA viral infection, in particular HCV infection. Also disclosed are methods of inhibiting RNA-dependent RNA polymerase, inhibiting RNA-dependent RNA viral replication, and/or treating RNA-dependent RNA viral infection with the carbocyclic nucleoside compounds of the present invention