(8S,11S,14S,22S,25S,28S,31S)-14,28-dibenzyl-10,24-bis[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-12,15,26,29-tetraoxo-2-oxa-5,6,7,10,13,16,19,20,21,24,27,30-dodecazahexacyclo[31.2.2.14,7.18,11.118,21.122,25]hentetraconta-1(36),4(41),5,18(39),19,33(37),34-heptaene-31-carboxylic acid | 1434125-45-7

• 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: (8S,11S,14S,22S,25S,28S,31S)-14,28-dibenzyl-10,24-bis[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-12,15,26,29-tetraoxo-2-oxa-5,6,7,10,13,16,19,20,21,24,27,30-dodecazahexacyclo[31.2.2.14,7.18,11.118,21.122,25]hentetraconta-1(36),4(41),5,18(39),19,33(37),34-heptaene-31-carboxylic acid
• CAS: 1434125-45-7
• 化学式: C₆₁H₈₀N₁₆O₁₁
• 分子量: 1213.41
• InChiKey: LRWMXVUTUKAQJF-YECIDVSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  88
• 可旋转键数：
  15
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  347
• 氢给体数：
  9
• 氢受体数：
  17

文献信息

• [EN] MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS<br/>[FR] COMPOSÉS MACROCYCLIQUES POUR L'INHIBITION D'INHIBITEURS DE L'APOPTOSE
  申请人：ENSEMBLE THERAPEUTICS

  公开号：WO2013071035A1

  公开（公告）日：2013-05-16

  The invention relates generally to macrocyclic compounds and their therapeutic use. More particularly, the invention relates to macrocyclic compounds that modulate the activity of inhibitors of apoptosis (IAPs) and/or are useful in the treatment of medical conditions, such as cancer.

  这项发明通常涉及大环化合物及其治疗用途。更具体地，该发明涉及调节凋亡抑制蛋白（IAPs）活性的大环化合物和/或用于治疗癌症等医疗状况的化合物。
• MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS
  申请人：Ensemble Therapeutics Corporation

  公开号：EP2776409B1

  公开（公告）日：2016-02-03