1-(2,3-dimethoxybenzyl)-2-(4-sulfamoylphenylamino)-1H-benzo[d]imidazole-5-carboxamide | 1092829-80-5

• 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: 1-(2,3-dimethoxybenzyl)-2-(4-sulfamoylphenylamino)-1H-benzo[d]imidazole-5-carboxamide
• 英文别名: 1-[(2,3-dimethoxyphenyl)methyl]-2-(4-sulfamoylanilino)benzimidazole-5-carboxamide
• CAS: 1092829-80-5
• 化学式: C₂₃H₂₃N₅O₅S
• 分子量: 481.532
• InChiKey: RPCHBCSSYSNRNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  160
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-[(2,3-Dimethoxyphenyl)methyl]-2-(4-sulfamoylanilino)benzimidazole-5-carboxylic acid 在 氨 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 生成 1-(2,3-dimethoxybenzyl)-2-(4-sulfamoylphenylamino)-1H-benzo[d]imidazole-5-carboxamide
  参考文献：
  名称：

  Substituted benzimidazoles: A novel chemotype for small molecule hKSP inhibitors

  摘要：

  Substituted benzimidazoles were pro. led as inhibitors of kinesin spindle protein (KSP), an increasingly important target for the development of anticancer drugs. This series demonstrated the monoastral phenotypic response and was found to be active in both enzymatic and cellular-based assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.040

文献信息

• Substituted benzimidazoles: A novel chemotype for small molecule hKSP inhibitors
  作者：Brian R. Lahue、Yao Ma、Gerald W. Shipps、Wolfgang Seghezzi、Ronald Herbst

  DOI：10.1016/j.bmcl.2009.05.040

  日期：2009.7

  Substituted benzimidazoles were pro. led as inhibitors of kinesin spindle protein (KSP), an increasingly important target for the development of anticancer drugs. This series demonstrated the monoastral phenotypic response and was found to be active in both enzymatic and cellular-based assays. (C) 2009 Elsevier Ltd. All rights reserved.