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 | 345262-82-0

• 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: 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 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: 345262-82-0
• 化学式: C₂₈H₂₄N₄O₄
• 分子量: 480.523
• InChiKey: BLYNIFUKIATBBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  36
• 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：
  4

反应信息

• 作为反应物：
  描述：

  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 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成 12-isopropyl-11, 12,13,14-tetra-hydro-12H, 15H-pyrrolo-[3,4-c]benzo[1,4]diazepino-[9',1,9a',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
• 作为产物：
  描述：

  3-(6-(tert-butoxycarbonyl)-4,5-dihydro-6H-[1,4]diazepino[6,7,1-hi]indol-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione 在 palladium diacetate 、 溶剂黄146 作用下， 生成 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.