[2-(1-benzyl-1H-benzoimidazol-2-yl)-4-methyl-thiazol-5-yl]-piperidin-1-yl-methanone | 1263903-23-6

• 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-benzyl-1H-benzoimidazol-2-yl)-4-methyl-thiazol-5-yl]-piperidin-1-yl-methanone
• 英文别名: [2-(1-Benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
• CAS: 1263903-23-6
• 化学式: C₂₄H₂₄N₄OS
• 分子量: 416.547
• InChiKey: NHQDACUHZFCMNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  79.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  哌啶 、 2-(1-benzyl-1H-benzoimidazol-2-yl)-4-methyl-thiazole-5-carboxylic acid 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以76%的产率得到[2-(1-benzyl-1H-benzoimidazol-2-yl)-4-methyl-thiazol-5-yl]-piperidin-1-yl-methanone
  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.