(2S)-N-[(5S,8S,10aR)-3-[8-[(5S,8S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-3-yl]-8-oxooctanoyl]-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide | 1296138-94-7

• 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: (2S)-N-[(5S,8S,10aR)-3-[8-[(5S,8S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-3-yl]-8-oxooctanoyl]-6-oxo-8-(4-phenyl-1H-benzimidazol-2-yl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]-2-(methylamino)propanamide
• CAS: 1296138-94-7
• 化学式: C₆₀H₇₄N₁₂O₆
• 分子量: 1059.32
• InChiKey: DRYVJXANNWHFGX-GJQZLFHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  78
• 可旋转键数：
  17
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  221
• 氢给体数：
  6
• 氢受体数：
  10

文献信息

• EP2491041B1
  申请人：——

  公开号：EP2491041B1

  公开（公告）日：2017-08-09
• BIVALENT DIAZO BICYCLIC SMAC
  申请人：Wang Shaomeng

  公开号：US20120263675A1

  公开（公告）日：2012-10-18

  The invention relates to diazo bicyclic Smac mimetics that are tethered through a covalent linker to give a bivalent species. Bivalent diazo bicyclic Smac mimetics function as inhibitors of Inhibitor of Apoptosis Proteins (IAPs). The invention also relates to the use of bivalent diazo bicyclic Smac mimetics for inducing or sensitizing cells to the induction of apoptotic cell death. Thus, compounds of the invention are useful in the treatment, amelioration, or prevention of hyperproliferative diseases such as cancer.
• US8815927B2
  申请人：——

  公开号：US8815927B2

  公开（公告）日：2014-08-26