1-(4-fluorophenyl)-1,2,3,4-tetrahydro[1,2,4]triazino[4,5-a]benzimidazole | 1383439-02-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-(4-fluorophenyl)-1,2,3,4-tetrahydro[1,2,4]triazino[4,5-a]benzimidazole
• 英文别名: 1-(4-Fluorophenyl)-1,2,3,4-tetrahydro-[1,2,4]triazino[4,5-a]benzimidazole
• CAS: 1383439-02-8
• 化学式: C₁₅H₁₃FN₄
• 分子量: 268.293
• InChiKey: KCLWLQVJEFTISP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  41.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯甲基苯并咪唑 在 一水合肼 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 12.75h， 生成 1-(4-fluorophenyl)-1,2,3,4-tetrahydro[1,2,4]triazino[4,5-a]benzimidazole
  参考文献：
  名称：

  Synthesis, antitumor activity and SAR study of novel [1,2,4]triazino[4,5-a]benzimidazole derivatives

  摘要：

  A series of novel 1,2,3,4-tetrahydro[1,2,4]triazino[4,5-a]benzimidazoles carrying variety of aryl and heteroaryl groups at position 1 were synthesized. The newly synthesized compounds were tested in vitro on human breast adenocarcinoma cell line (MCF7). Some of the test compounds showed potent antitumor activity, especially compound 3c [1-(2-chlorophenyl) derivative] which displayed the highest activity among the test compounds. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.03.028

文献信息

• Synthesis, antitumor activity and SAR study of novel [1,2,4]triazino[4,5-a]benzimidazole derivatives
  作者：Hala Bakr El-Nassan

  DOI：10.1016/j.ejmech.2012.03.028

  日期：2012.7

  A series of novel 1,2,3,4-tetrahydro[1,2,4]triazino[4,5-a]benzimidazoles carrying variety of aryl and heteroaryl groups at position 1 were synthesized. The newly synthesized compounds were tested in vitro on human breast adenocarcinoma cell line (MCF7). Some of the test compounds showed potent antitumor activity, especially compound 3c [1-(2-chlorophenyl) derivative] which displayed the highest activity among the test compounds. (C) 2012 Elsevier Masson SAS. All rights reserved.