3-(6-hydroxymethyl-4,5,6,7-tetrahydroazepino[3,2,1-hi]indol-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione | 345263-75-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 3-(6-hydroxymethyl-4,5,6,7-tetrahydroazepino[3,2,1-hi]indol-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
• 英文别名: 3-[10-(hydroxymethyl)-1-azatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
• CAS: 345263-75-4
• 化学式: C₂₅H₂₁N₃O₃
• 分子量: 411.46
• InChiKey: KAEOMMMVORSOHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  87.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(6-hydroxymethyl-4,5,6,7-tetrahydroazepino[3,2,1-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-(hydroxymethyl)-11,12,13,14-tetrahydro-15H-pyrrolo[3,4-c]benz[b]azepino[9',9a'1':3,2,1]pyrrolo[2,3-a]carbazole-5,7-dione
  参考文献：
  名称：

  Synthesis of 1,7-annulated indoles and their applications in the studies of cyclin dependent kinase inhibitors

  摘要：

  The synthesis of a novel series of 1,7-annulated indolocarbazoles 2 and 16 is described. These compounds were found to be potent cyclin dependent kinase inhibitors with good antiproliferative activity against two human carcinoma cell lines. These inhibitors also arrested tumor cells at the G1 phase and inhibited pRb phosphorylation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.033
• 作为产物：
  描述：

  4,5-Dihydro-azepino[3,2,1-hi]indole-6-carboxylic acid methyl ester 在 palladium on activated charcoal lithium aluminium tetrahydride 、 potassium tert-butylate 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 乙酸乙酯 为溶剂， 生成 3-(6-hydroxymethyl-4,5,6,7-tetrahydroazepino[3,2,1-hi]indol-1-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
  参考文献：
  名称：

  Synthesis of 1,7-annulated indoles and their applications in the studies of cyclin dependent kinase inhibitors

  摘要：

  The synthesis of a novel series of 1,7-annulated indolocarbazoles 2 and 16 is described. These compounds were found to be potent cyclin dependent kinase inhibitors with good antiproliferative activity against two human carcinoma cell lines. These inhibitors also arrested tumor cells at the G1 phase and inhibited pRb phosphorylation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.033

文献信息

• Agents and methods for the treatment of proliferative diseases
  申请人：——

  公开号：US20030229026A1

  公开（公告）日：2003-12-11

  The present invention provides selective kinase inhibitors of formula (I). 1

  这项发明提供了式（I）的选择性激酶抑制剂。
• AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  申请人：ELI LILLY AND COMPANY

  公开号：EP1242420A2

  公开（公告）日：2002-09-25
• US6867198B2
  申请人：——

  公开号：US6867198B2

  公开（公告）日：2005-03-15
• [EN] AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES<br/>[FR] AGENTS ET METHODES DE TRAITEMENT DES MALADIES HYPERPLASIQUES
  申请人：LILLY CO ELI

  公开号：WO2001044247A2

  公开（公告）日：2001-06-21

  The present invention provides selective kinase inhibitors of formula (I).
• Synthesis of 1,7-annulated indoles and their applications in the studies of cyclin dependent kinase inhibitors
  作者：Guoxin Zhu、Scott E. Conner、Xun Zhou、Ho-Kit Chan、Chuan Shih、Thomas A. Engler、Rima S. Al-awar、Harold B. Brooks、Scott A. Watkins、Charles D. Spencer、Richard M. Schultz、Jack A. Dempsey、Eileen L. Considine、Bharvin R. Patel、Catherine A. Ogg、Vasu Vasudevan、Michelle L. Lytle

  DOI：10.1016/j.bmcl.2004.04.033

  日期：2004.6

  The synthesis of a novel series of 1,7-annulated indolocarbazoles 2 and 16 is described. These compounds were found to be potent cyclin dependent kinase inhibitors with good antiproliferative activity against two human carcinoma cell lines. These inhibitors also arrested tumor cells at the G1 phase and inhibited pRb phosphorylation. (C) 2004 Elsevier Ltd. All rights reserved.