7-hydroxy-2-thiophen-2-yl-1H-benzoimidazole-4-carboxylic acid [3-(4,5-dichloro-imidazol-1-yl)-propyl]-amide | 1365126-44-8

• 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: 7-hydroxy-2-thiophen-2-yl-1H-benzoimidazole-4-carboxylic acid [3-(4,5-dichloro-imidazol-1-yl)-propyl]-amide
• 英文别名: N-[3-(4,5-dichloroimidazol-1-yl)propyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
• CAS: 1365126-44-8
• 化学式: C₁₈H₁₅Cl₂N₅O₂S
• 分子量: 436.321
• InChiKey: RAUHCGOPQCCBOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-cyclopropyl-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 7-hydroxy-2-thiophen-2-yl-1H-benzoimidazole-4-carboxylic acid [3-(4,5-dichloro-imidazol-1-yl)-propyl]-amide
  参考文献：
  名称：

  Structure–activity relationship of the 7-hydroxy benzimidazole analogs as glycogen synthase kinase 3β inhibitor

  摘要：

  Design, synthesis and the GSK3 beta inhibitory activities of the 7-hydroxy benzimidazole analogs are described. The solid-phase synthetic route was also developed for preparation of the analogs consisting of the novel ATP competitive scaffold. In addition, the structure-activity relationship of the 7-hydroxy benzimidazole analogs and their biological activities are reported. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.065