methyl 2-cyclopropyl-7-hydroxy-1H-benzimidazole-4-carboxylate | 1365125-87-6

• 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: methyl 2-cyclopropyl-7-hydroxy-1H-benzimidazole-4-carboxylate
• CAS: 1365125-87-6
• 化学式: C₁₂H₁₂N₂O₃
• 分子量: 232.239
• InChiKey: FDHZTTDPSCKRBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 2-cyclopropyl-7-hydroxy-1H-benzimidazole-4-carboxylate 在 caesium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  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
• 作为产物：
  描述：

  methyl 2-cyclopropyl-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-cyclopropyl-7-hydroxy-1H-benzimidazole-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

文献信息

• [EN] BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE ET INHIBITEURS DE GLYCOGÈNE SYNTHASE KINASE-3-BÊTA CONTENANT CEUX-CI
  申请人：ONCOTHERAPY SCIENCE INC

  公开号：WO2010014794A1

  公开（公告）日：2010-02-04

  Benzoimidazole Derivatives are provided. The compounds of the present invention are useful for Glycogen Synthase Kinase-3 Beta Inhibitors.

  苯并咪唑衍生物已提供。本发明的化合物对于糖原合成酶激酶-3β抑制剂是有用的。