(12S,15S,18S,30R,34S,37S,40S)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36,39-dodecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-18,40-dicarboxylic acid

• 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: (12S,15S,18S,30R,34S,37S,40S)-11,33-bis[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-15,37-bis(naphthalen-2-ylmethyl)-13,16,35,38-tetraoxo-2,24-dioxa-5,6,7,11,14,17,27,28,29,33,36,39-dodecazaheptacyclo[40.2.2.220,23.14,7.126,29.08,12.030,34]pentaconta-1(45),4(50),5,20,22,26(47),27,42(46),43,48-decaene-18,40-dicarboxylic acid
• 化学式: C₈₀H₉₆N₁₆O₁₄
• 分子量: 1505.7
• InChiKey: MBKNBOLIPVRUSC-FJRZKETPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  110
• 可旋转键数：
  16
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  394
• 氢给体数：
  10
• 氢受体数：
  20

文献信息

• MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS
  申请人：ENSEMBLE THERAPEUTICS CORPORATION

  公开号：US20150284427A1

  公开（公告）日：2015-10-08

  There are disclosed compounds that modulate the activity of inhibitors of apoptosis (IAPs), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders and disorders of dysregulated apoptosis, such as cancer, utilizing the compounds of the invention.

  已披露的化合物可调节凋亡抑制剂（IAPs）的活性，包含该化合物的药物组合物以及利用本发明的化合物治疗增殖性疾病和失调凋亡疾病（如癌症）的方法。
• US9605022B2
  申请人：——

  公开号：US9605022B2

  公开（公告）日：2017-03-28
• [EN] MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS<br/>[FR] COMPOSÉS MACROCYCLIQUES POUR L'INHIBITION D'INHIBITEURS DE L'APOPTOSE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014074665A1

  公开（公告）日：2014-05-15

  There are disclosed compounds that modulate the activity of inhibitors of apoptosis (IAPs), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders and disorders of dysregulated apoptosis, such as cancer, utilizing the compounds of the invention.