2-bromo-N-(2-(methylamino)ethyl)-11H-benzo[a]carbazole-5-carboxamide | 1347754-69-1

• 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-N-(2-(methylamino)ethyl)-11H-benzo[a]carbazole-5-carboxamide
• 英文别名: 2-bromo-N-[2-(methylamino)ethyl]-11H-benzo[a]carbazole-5-carboxamide
• CAS: 1347754-69-1
• 化学式: C₂₀H₁₈BrN₃O
• 分子量: 396.286
• InChiKey: XNWQQTSYVCQLQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  56.9
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  methyl 2-bromo-6,11-dihydro-5H-benzo[a]carbazole-5-carboxylate 在 草酰氯 、 N,N-二甲基甲酰胺 、 2,3-二氯-5,6-二氰基-1,4-苯醌 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 7.0h， 生成 2-bromo-N-(2-(methylamino)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

文献信息

• Design, synthesis and biological evaluation of substituted 11H-benzo[a]carbazole-5-carboxamides as novel antitumor agents
  作者：Yu-Qin Wang、Xiao-Hua Li、Qian He、Yi Chen、Yu-Yuan Xie、Jian Ding、Ze-Hong Miao、Chun-Hao Yang

  DOI：10.1016/j.ejmech.2011.09.050

  日期：2011.12

  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.