methyl 2-(furan-2-yl)-7-hydroxy-1H-benzo[d]imidazole-4-carboxylate | 1365126-52-8

• 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: methyl 2-(furan-2-yl)-7-hydroxy-1H-benzo[d]imidazole-4-carboxylate
• CAS: 1365126-52-8
• 化学式: C₁₃H₁₀N₂O₄
• 分子量: 258.233
• InChiKey: XZBNVBJXGUJVEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  88.35
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  methyl 2-(furan-2-yl)-7-methoxy-1H-benzo[d]imidazole-4-carboxylate 在 aluminum (III) chloride 、 硫酸 作用下， 以 甲苯 为溶剂， 生成 methyl 2-(furan-2-yl)-7-hydroxy-1H-benzo[d]imidazole-4-carboxylate
  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