(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[6-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]sulfonylnaphthalen-2-yl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide | 1088500-10-0

• 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)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[6-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazin-1-yl]sulfonylnaphthalen-2-yl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide
• CAS: 1088500-10-0
• 化学式: C₆₀H₈₂N₁₀O₁₀S₂
• 分子量: 1167.5
• InChiKey: WZXTVIYRTYZXTJ-UCVZGJJPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  82
• 可旋转键数：
  18
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  273
• 氢给体数：
  6
• 氢受体数：
  14

文献信息

• IAP BIR DOMAIN BINDING COMPOUNDS
  申请人：Laurent Alain

  公开号：US20100203012A1

  公开（公告）日：2010-08-12

  Disclosed herein is a compound of Formula 1: or a salt thereof, in which R 1 , R 1a , R 100 , R 100a , R 2 , R 200 , R 3 , R 300 , A, A 1 , Q, Q 1 and BG are as defined herein. Also disclosed is the use of the compounds of Formula 1 to treat disorders of dysregulated apoptosis, such as cancer and cellular proliferative disorders.