2-[(Methanesulfonylimino-morpholin-4-yl-methyl)-amino]-4-methyl-pentanoic acid (1-benzyl-3-cyano-pyrrolidin-3-yl)-amide | 1245376-19-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[(Methanesulfonylimino-morpholin-4-yl-methyl)-amino]-4-methyl-pentanoic acid (1-benzyl-3-cyano-pyrrolidin-3-yl)-amide
• 英文别名: N-(1-benzyl-3-cyanopyrrolidin-3-yl)-2-[[methanesulfonamido(morpholin-4-yl)methylidene]amino]-4-methylpentanamide
• CAS: 1245376-19-5
• 化学式: C₂₄H₃₆N₆O₄S
• 分子量: 504.654
• InChiKey: MRBRMICNJUTGJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  136
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：EP1218372A1

  公开（公告）日：2002-07-03
• [EN] NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES<br/>[FR] COMPOSES SPIROHETEROCYCLIQUES UTILES COMME INHIBITEURS REVERSIBLES DE CYSTEINE PROTEASE
  申请人：BOEHRINGER INGELHEIM PHARMA

  公开号：WO2001019816A1

  公开（公告）日：2001-03-22

  Disclosed are novel cathepsin S, K, F, L and B reversible inhibitory compounds of formulas (I), (II), (Ia) and (Ib) further defined herein. The compounds are useful for treating autoimmune diseases. Also disclosed are processes for making such novel compounds.