2,3-difluoro-12-(tert-butoxycarbonyl)-11,12,13,14-tetrahydro-12H, 15H-pyrrolo [3,4-c]benzo [1,4] diazepino[9',9a',1':3,2,1]-pyrrolo[2,3-a]carbazole-5,7-dione | 345263-28-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2,3-difluoro-12-(tert-butoxycarbonyl)-11,12,13,14-tetrahydro-12H, 15H-pyrrolo [3,4-c]benzo [1,4] diazepino[9',9a',1':3,2,1]-pyrrolo[2,3-a]carbazole-5,7-dione
• 英文别名: Tert-butyl 7,8-difluoro-13,15-dioxo-1,4,14,24-tetrazaheptacyclo[16.8.1.02,17.03,11.05,10.012,16.022,27]heptacosa-2,5,7,9,11,16,18,20,22(27)-nonaene-24-carboxylate
• CAS: 345263-28-7
• 化学式: C₂₈H₂₂F₂N₄O₄
• 分子量: 516.504
• InChiKey: QFEAXQYPUFIYND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  38
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  96.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,3-difluoro-12-(tert-butoxycarbonyl)-11,12,13,14-tetrahydro-12H, 15H-pyrrolo [3,4-c]benzo [1,4] diazepino[9',9a',1':3,2,1]-pyrrolo[2,3-a]carbazole-5,7-dione 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 2,3-difluoro-11,12,13,14-tetrahydro-12H,15H-pyrrolo[3,4-c]benzo[1,4]diazepino[9',9a',1':3,2,1]-pyrrolo[2,3-a]carbazole-5,7-dione hydrochloride
  参考文献：
  名称：

  Preparation of novel aza-1,7-annulated indoles and their conversion to potent indolocarbazole kinase inhibitors

  摘要：

  The synthesis of novel aza-1,7-annulated indoles was achieved and these were converted to indolocarbazoles that proved to be potent kinase inhibitors. These compounds were also evaluated in a human colon carcinoma cell line and proved to be good antiproliferative agents. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.088
• 作为产物：
  描述：

  2-(3-三氟甲基苯氧基)苯甲醛 在 palladium on activated charcoal 盐酸 、 palladium diacetate 、 ammonium hydroxide 、 sodium hypophosphite 、 TEA 、 比沙可啶 、 potassium tert-butylate 、 sodium hydride 、 溶剂黄146 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2,3-difluoro-12-(tert-butoxycarbonyl)-11,12,13,14-tetrahydro-12H, 15H-pyrrolo [3,4-c]benzo [1,4] diazepino[9',9a',1':3,2,1]-pyrrolo[2,3-a]carbazole-5,7-dione
  参考文献：
  名称：

  Preparation of novel aza-1,7-annulated indoles and their conversion to potent indolocarbazole kinase inhibitors

  摘要：

  The synthesis of novel aza-1,7-annulated indoles was achieved and these were converted to indolocarbazoles that proved to be potent kinase inhibitors. These compounds were also evaluated in a human colon carcinoma cell line and proved to be good antiproliferative agents. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.088

文献信息

• Preparation of novel aza-1,7-annulated indoles and their conversion to potent indolocarbazole kinase inhibitors
  作者：Rima S Al-awar、James E Ray、Kyle A Hecker、Sajan Joseph、Jianping Huang、Chuan Shih、Harold B Brooks、Charles D Spencer、Scott A Watkins、Richard M Schultz、Eileen L Considine、Margaret M Faul、Kevin A Sullivan、Stanley P Kolis、Michael A Carr、Faming Zhang

  DOI：10.1016/j.bmcl.2004.05.088

  日期：2004.8

  The synthesis of novel aza-1,7-annulated indoles was achieved and these were converted to indolocarbazoles that proved to be potent kinase inhibitors. These compounds were also evaluated in a human colon carcinoma cell line and proved to be good antiproliferative agents. (C) 2004 Elsevier Ltd. All rights reserved.