(10S)-10-ethoxy-14-methoxy-N-methyl-20-(trifluoromethyl)spiro[9-oxa-4,5,16,18,22,25,28-heptaaza-10-phosphapentacyclo[21.2.2.2(12'15).1(2'5).1(17'21)]hentriaconta-1(25),2(31),3,12,14,17(28),18,20,23,26,29-undecaene-7,3'-oxetane]-24-carboxamide 10-oxide | 1380306-86-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (10S)-10-ethoxy-14-methoxy-N-methyl-20-(trifluoromethyl)spiro[9-oxa-4,5,16,18,22,25,28-heptaaza-10-phosphapentacyclo[21.2.2.2(12'15).1(2'5).1(17'21)]hentriaconta-1(25),2(31),3,12,14,17(28),18,20,23,26,29-undecaene-7,3'-oxetane]-24-carboxamide 10-oxide
• 英文别名: (10S)-10-ethoxy-14-methoxy-N-methyl-10-oxo-20-(trifluoromethyl)spiro[9-oxa-4,5,16,18,22,25,28-heptaza-10lambda5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-7,3'-oxetane]-24-carboxamide；(10S)-10-ethoxy-14-methoxy-N-methyl-10-oxo-20-(trifluoromethyl)spiro[9-oxa-4,5,16,18,22,25,28-heptaza-10λ5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-7,3'-oxetane]-24-carboxamide
• CAS: 1380306-86-4
• 化学式: C₃₀H₃₂F₃N₈O₆P
• 分子量: 688.603
• InChiKey: UUGLGYRWSLPGOB-DYVQZXGMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  48
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  164
• 氢给体数：
  3
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  10-ethoxy-14-methoxy-N-methyl-20-(trifluoromethyl)spiro[9-oxa-4,5,16,18,22,25,28-heptaaza-10-phosphapentacyclo[21.2.2.2(12'15).1(2'5).1(17'21)]hentriaconta-1(25),2(31),3,12,14,17(28),18,20,23,26,29-undecaene-7,3'-oxetane]-24-carboxamide 10-oxide 在 CHIRALPACK IA 作用下， 以 甲醇 、 异丙胺 为溶剂， 生成 (10R)-10-ethoxy-14-methoxy-N-methyl-20-(trifluoromethyl)spiro[9-oxa-4,5,16,18,22,25,28-heptaaza-10-phosphapentacyclo[21.2.2.2(12'15).1(2'5).1(17'21)]hentriaconta-1(25),2(31),3,12,14,17(28),18,20,23,26,29-undecaene-7,3'-oxetane]-24-carboxamide 10-oxide 、 (10S)-10-ethoxy-14-methoxy-N-methyl-20-(trifluoromethyl)spiro[9-oxa-4,5,16,18,22,25,28-heptaaza-10-phosphapentacyclo[21.2.2.2(12'15).1(2'5).1(17'21)]hentriaconta-1(25),2(31),3,12,14,17(28),18,20,23,26,29-undecaene-7,3'-oxetane]-24-carboxamide 10-oxide
  参考文献：
  名称：

  [EN] MACROCYCLIC KINASE INHIBITORS
  [FR] INHIBITEURS DE KINASE MACROCYCLIQUES

  摘要：

  式(I)的化合物：其中变量在此处定义，并且其药用盐、合成、中间体、配方和治疗疾病的方法，包括对FAK抑制有益的癌症。

  公开号：

  WO2012074951A1

文献信息

• [EN] MACROCYCLIC KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE MACROCYCLIQUES
  申请人：OSI PHARMACEUTICALS LLC

  公开号：WO2012074951A1

  公开（公告）日：2012-06-07

  Compounds of Formula (I): wherein variables are defined herein, and pharmaceutically acceptable salts, synthesis, intermediates, formulations, and methods of disease treatment therewith, including cancers for which FAK inhibition is beneficial.

  式(I)的化合物：其中变量在此处定义，并且其药用盐、合成、中间体、配方和治疗疾病的方法，包括对FAK抑制有益的癌症。