(5S,8S,10aR)-3-N-[4-[[4-[[(5S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-8-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-3-carbonyl]amino]phenyl]methyl]phenyl]-5-[[(2S)-2-(methylamino)propanoyl]amino]-8-N-[(1R,3Z,5Z)-2-methylidenecyclodeca-3,5-dien-1-yl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-3,8-dicarboxamide

• 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: (5S,8S,10aR)-3-N-[4-[[4-[[(5S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-8-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-3-carbonyl]amino]phenyl]methyl]phenyl]-5-[[(2S)-2-(methylamino)propanoyl]amino]-8-N-[(1R,3Z,5Z)-2-methylidenecyclodeca-3,5-dien-1-yl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-3,8-dicarboxamide
• 化学式: C₆₄H₈₄N₁₂O₈
• 分子量: 1149.4
• InChiKey: UGTHTNZQAMZYQP-AEZZJCQUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  84
• 可旋转键数：
  14
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  246
• 氢给体数：
  8
• 氢受体数：
  10

文献信息

• [EN] BIVALENT INHIBITORS OF IAP PROTEINS AND THERAPEUTIC METHODS USING THE SAME<br/>[FR] INHIBITEURS BIVALENTS DE PROTÉINES IAP ET MÉTHODES THÉRAPEUTIQUES LES UTILISANT
  申请人：REGENTIS OF THE UNIVERSITY OF MICHIGAN

  公开号：WO2014031487A1

  公开（公告）日：2014-02-27

  Inhibitors of IAP proteins and compositions containing the same are disclosed. Methods of using the IAP protein inhibitors in the treatment of diseases and conditions wherein inhibition of IAP proteins provides a benefit, like cancers, also are disclosed.