7-hydroxy-2-methyl-1H-benzimidazole-4-carboxylic acid | 1365110-87-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 7-hydroxy-2-methyl-1H-benzimidazole-4-carboxylic acid
• CAS: 1365110-87-7
• 化学式: C₉H₈N₂O₃
• 分子量: 192.174
• InChiKey: JYIXZYAYNPNHJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  86.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 7-hydroxy-2-methyl-1H-benzimidazole-4-carboxylic acid 在 硫酸 作用下， 生成 methyl 7-hydroxy-2-methyl-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
• 作为产物：
  描述：

  methyl 3-(1-imino-ethylamino)-4-methoxybenzoate 在 盐酸 、 aluminum (III) chloride 作用下， 以 甲苯 为溶剂， 生成 7-hydroxy-2-methyl-1H-benzimidazole-4-carboxylic acid
  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

• GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES
  申请人：Matsuo Yo

  公开号：US20110301146A1

  公开（公告）日：2011-12-08

  GSK-3beta inhibitors comprising 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives are provided. For example, the inhibitors have following general formula (I).

  提供了包含7-羟基苯并咪唑-4-基甲酮衍生物的GSK-3beta抑制剂。例如，抑制剂具有以下通式（I）。
• 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives and PBK Inhibitors Containing the Same
  申请人：Matsuo Yo

  公开号：US20110263566A1

  公开（公告）日：2011-10-27

  7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives, which are useful for PBK inhibitors, are provided.

  提供了7-羟基苯并咪唑-4-基甲酮衍生物，它们对于PBK抑制剂是有用的。
• Structure–activity relationship of the 7-hydroxy benzimidazole analogs as glycogen synthase kinase 3β inhibitor
  作者：Seung-Chul Lee、Dongkyu Shin、Joong Myung Cho、Sunggu Ro、Young-Ger Suh

  DOI：10.1016/j.bmcl.2012.01.065

  日期：2012.3

  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.