N-[(2S)-1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]furan-3-carboxamide

• 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: N-[(2S)-1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]furan-3-carboxamide
• 化学式: C₁₈H₂₆N₂O₅
• 分子量: 350.4
• InChiKey: UTVLTKTZIWDHNN-JEYLPNPQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  97.6
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Cysteine protease inhibitors
  申请人：Quibell Martin

  公开号：US20050020588A1

  公开（公告）日：2005-01-27

  Cathepsin S is a highly active cysteine protease belonging to the papain superfamily. It is found mainly in lymph nodes, spleen, and macrophages and this limited occurrence suggests the potential involvement of this enzyme in the pathogenesis of degenerative disease. The invention relates to novel protease inhibitors, particularly inhibitors of the cysteine proteases of the papain superfamily and more particularly to Cathepsin S. The inhibitors are Furanone derivatives of Formula (II) which have a characteristic non-hydrogen substituent R5. They are selective over other members of the family and in particular show selectivity over other members of the Cathepsin family such as L and K.

  Cathepsin S是一种高活性的半胱氨酸蛋白酶，属于木瓜蛋白酶超家族。它主要存在于淋巴结、脾脏和巨噬细胞中，这种有限的出现提示了这种酶在退行性疾病的发病机制中可能的参与。本发明涉及新型蛋白酶抑制剂，特别是木瓜蛋白酶超家族的半胱氨酸蛋白酶抑制剂，更特别地是Cathepsin S的抑制剂。这些抑制剂是具有特征性非氢取代基R5的呋喃酮衍生物，它们对家族中的其他成员具有选择性，特别是对其他Cathepsin家族成员如L和K具有选择性。