4-hydroxy-N-phenethyl-2-phenyl-1H-benzo[d]imidazole-7-carboxamide | 733755-04-9

• 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: 4-hydroxy-N-phenethyl-2-phenyl-1H-benzo[d]imidazole-7-carboxamide
• 英文别名: 7-hydroxy-2-phenyl-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide
• CAS: 733755-04-9
• 化学式: C₂₂H₁₉N₃O₂
• 分子量: 357.412
• InChiKey: VLBUEFFYBHGVQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  78
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 三氯化铝 作用下， 以 甲苯 为溶剂， 反应 5.0h， 生成 4-hydroxy-N-phenethyl-2-phenyl-1H-benzo[d]imidazole-7-carboxamide
  参考文献：
  名称：

  Design and synthesis of 7-hydroxy-1H-benzoimidazole derivatives as novel inhibitors of glycogen synthase kinase-3β

  摘要：

  A hydroxy functional group was introduced as the hydrogen bond donor and acceptor at the hinge region of protein kinase in order to develop novel ATP-competitive inhibitors. Several derivatives of 7-hydroxyl-1H-benzoimidazole were designed as inhibitors of glycogen synthase kinase-3 beta with the help of ab initio calculations and a docking study. Enzymatic assay and an X-ray complex study showed that these designed compounds were highly potent ATP-competitive inhibitors. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.056

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。
• Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same
  申请人：Ohtani Mitsuaki

  公开号：US20110190351A1

  公开（公告）日：2011-08-04

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

  本发明提供苯并咪唑衍生物。本发明的化合物可用作糖原合成酶激酶-3β抑制剂。
• BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME
  申请人：Oncotherapy Science, Inc.

  公开号：EP2309855A1

  公开（公告）日：2011-04-20