2-bromo-11H-benzo[a]carbazole-5-carbonyl chloride | 1388226-84-3

• 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-bromo-11H-benzo[a]carbazole-5-carbonyl chloride
• CAS: 1388226-84-3
• 化学式: C₁₇H₉BrClNO
• 分子量: 358.622
• InChiKey: YPBNTGGWNMNZSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.9
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-11H-benzo[a]carbazole-5-carbonyl chloride 在 copper(l) iodide 、 氨 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 9.0h， 生成 2-amino-N-(2-(dimethylamino)ethyl)-11H-benzo[a]carbazole-5-carboxamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of substituted 11H-benzo[a]carbazole-5-carboxamides as novel antitumor agents

  摘要：

  A series of novel 11H-benzo[a]carbazole-5-carboxamide derivatives were designed, synthesized and evaluated for their antitumor activity against human cancer A549 and HCT-116 cell lines. Most of the compounds showed potent antitumor activities, and compound 8 displayed remarkable in vitro and in vivo anticancer activity comparable to that of amonafide. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.09.050
• 作为产物：
  描述：

  2-bromo-11H-benzo[a]carbazole-5-carboxylic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 为溶剂， 生成 2-bromo-11H-benzo[a]carbazole-5-carbonyl chloride
  参考文献：
  名称：

  Design, synthesis and biological evaluation of substituted 11H-benzo[a]carbazole-5-carboxamides as novel antitumor agents

  摘要：

  A series of novel 11H-benzo[a]carbazole-5-carboxamide derivatives were designed, synthesized and evaluated for their antitumor activity against human cancer A549 and HCT-116 cell lines. Most of the compounds showed potent antitumor activities, and compound 8 displayed remarkable in vitro and in vivo anticancer activity comparable to that of amonafide. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.09.050