3-(indol-3-yl)-4-(8-(tert-butoxycarbonyl)-[1,5]diazaperhydroonino[8,9,1-hi]indol-1-yl)pyrrole-2,5-dione | 345262-91-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 3-(indol-3-yl)-4-(8-(tert-butoxycarbonyl)-[1,5]diazaperhydroonino[8,9,1-hi]indol-1-yl)pyrrole-2,5-dione
• CAS: 345262-91-1
• 化学式: C₃₀H₃₀N₄O₄
• 分子量: 510.593
• InChiKey: FJUGLDVGRFVABV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.22
• 重原子数：
  38.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  96.43
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-(indol-3-yl)-4-(8-(tert-butoxycarbonyl)-[1,5]diazaperhydroonino[8,9,1-hi]indol-1-yl)pyrrole-2,5-dione 在 盐酸 、 palladium diacetate 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 pyrrolo[3,4-c]benzo[1,5]diazaperhydroonino-[12',12a',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：

  8-(tert-butoxycarbonyl)-[1,5]diazaperhydroonino[8,9,1-hi]indole 在 盐酸 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-(indol-3-yl)-4-(8-(tert-butoxycarbonyl)-[1,5]diazaperhydroonino[8,9,1-hi]indol-1-yl)pyrrole-2,5-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