2-(1-methyl-1H-benzoimidazol-2-yl)-thiazole-4-carboxylic acid ethyl ester | 1263903-05-4

• 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: 2-(1-methyl-1H-benzoimidazol-2-yl)-thiazole-4-carboxylic acid ethyl ester
• 英文别名: Ethyl 2-(1-methylbenzimidazol-2-yl)-1,3-thiazole-4-carboxylate
• CAS: 1263903-05-4
• 化学式: C₁₄H₁₃N₃O₂S
• 分子量: 287.342
• InChiKey: PIBZBWXHWMADSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  85.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-溴丙酮酸乙酯 、 (9ci)-1-甲基-1H-苯并咪唑-2-硫代甲酰胺 以 乙醇 为溶剂， 反应 8.0h， 以42%的产率得到2-(1-methyl-1H-benzoimidazol-2-yl)-thiazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and in vitro cytotoxic evaluation of some thiazolylbenzimidazole derivatives

  摘要：

  A novel kind of thiazolylbenzimidazole derivatives were designed and synthesized and evaluated for their antitumor activity against SMMC-7721 and A549 cell lines. Most compounds showed good antitumor activities, and compound lib displayed remarkable in vitro anticancer activity comparable to taxol. The preliminary structure-activity relationship of these benzimidazole derivatives was discussed based on the experimental data obtained. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.11.014

文献信息

• Synthesis and in vitro cytotoxic evaluation of some thiazolylbenzimidazole derivatives
  作者：Yu Luo、Feng Xiao、Shijing Qian、Wei Lu、Bo Yang

  DOI：10.1016/j.ejmech.2010.11.014

  日期：2011.1

  A novel kind of thiazolylbenzimidazole derivatives were designed and synthesized and evaluated for their antitumor activity against SMMC-7721 and A549 cell lines. Most compounds showed good antitumor activities, and compound lib displayed remarkable in vitro anticancer activity comparable to taxol. The preliminary structure-activity relationship of these benzimidazole derivatives was discussed based on the experimental data obtained. (C) 2010 Elsevier Masson SAS. All rights reserved.