(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-hydroxy-3-tritylsulfanylpropyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-(3-tritylimidazol-4-yl)propanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-tritylsulfanylpropanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[3-[2-[2-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-hydroxy-3-tritylsulfanylpropyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-(3-tritylimidazol-4-yl)propanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-tritylsulfanylpropanoic acid
• 化学式: C₁₇₉H₂₁₆N₁₈O₂₇S₃
• 分子量: 3148.0
• InChiKey: PPRYRLGACJJAMU-GHALPJMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.4
• 重原子数：
  227
• 可旋转键数：
  93
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  683
• 氢给体数：
  18
• 氢受体数：
  32

文献信息

• [EN] METHOD OF INHIBITING CATHEPSIN ACTIVITY<br/>[FR] PROCEDE D'INHIBITION DE L'ACTIVITE DE CATHEPSINE
  申请人：SCHERING CORP

  公开号：WO2006113942A2

  公开（公告）日：2006-10-26

  [EN] The present invention provides methods of inhibiting cathepsin activity in a subject in need thereof comprising administering to said subject an effective amount of at least one compound of various formulae (e.g., formula I-XXVI) disclosed herein. The present invention also provides methods of treatment of various diseases utilizing the foregoing compounds.
  [FR] L'invention concerne des procédés d'inhibition de l'activité de la cathepsine chez un sujet le nécessitant qui consiste à administrer à ce sujet une quantité efficace d'au moins un composé de diverses formules (par exemple, formule I-XXVI). Cette invention concerne également des procédés de traitement de diverses maladies au moyen des composés susmentionnés.