(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[4-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazine-1-carbonyl]benzoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide | 1088499-98-2

• 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-[4-[(3S)-4-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperazine-1-carbonyl]benzoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide
• CAS: 1088499-98-2
• 化学式: C₅₈H₈₀N₁₀O₈
• 分子量: 1045.34
• InChiKey: PPCYEGUKAQNBIT-JXMHUOLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  76
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  222
• 氢给体数：
  6
• 氢受体数：
  10

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.
• [EN] IAP BIR DOMAIN BINDING COMPOUNDS<br/>[FR] COMPOSÉS DE LIAISON AU DOMAINE IAP BIR
  申请人：AEGERA THERAPEUTICS INC

  公开号：WO2008144925A1

  公开（公告）日：2008-12-04

  [EN] Disclosed herein is a compound of Formula: (1) or a salt thereof, in which R1, R1a, R100, R1OOa, R2, R200, R3, R300, A, A1, Q, Q1 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.
  [FR] L'invention porte sur un composé de Formule (1) ou sur un sel de ce composé, où R1, R1a, R100, R1OOa, R2, R200, R3, R300, A, A1, Q, Q1 et BG sont tels que définis présentement. L'invention porte également sur l'utilisation des composés de Formule (1) pour traiter des troubles du l'apoptose dérégulée, tels que le cancer et les troubles prolifératifs cellulaires.