naphthalene-2-carboxylic acid [1-(3-cyano-1-cyclohexylmethyl-pyrrolidin-3-ylcarbamoyl)-3-methyl-butyl]-amide

• 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: naphthalene-2-carboxylic acid [1-(3-cyano-1-cyclohexylmethyl-pyrrolidin-3-ylcarbamoyl)-3-methyl-butyl]-amide
• 英文别名: N-[1-[[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
• 化学式: C₂₉H₃₈N₄O₂
• 分子量: 474.646
• InChiKey: PVFCNFIPCCTUOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  85.2
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Compounds useful as reversible inhibitors of cysteine proteases
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030225270A1

  公开（公告）日：2003-12-04

  Disclosed are novel cathepsin S, K, F, L and B reversible inhibitory compounds of the 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. 1

  本发明涉及一种新型的可逆抑制剂，其化学式为（I），（II），（Ia）和（Ib），可抑制S、K、F、L和B型卡特普西蛋白。本发明还涉及制备这种新型化合物的方法。这些化合物可用于治疗自身免疫性疾病。
• 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
• US6982272B2
  申请人：——

  公开号：US6982272B2

  公开（公告）日：2006-01-03
• [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.