5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethoxy)benzyl]oxy}thiophene-2-carboxamide

• 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: 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethoxy)benzyl]oxy}thiophene-2-carboxamide
• 英文别名: 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethoxy)phenyl]methoxy}thiophene-2-carboxamide；5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethoxy)phenyl]methoxy]thiophene-2-carboxamide
• 化学式: C₂₂H₁₈F₃N₃O₅S
• 分子量: 493.463
• InChiKey: HHJNULHGUASGCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  在 氨 作用下， 以 甲醇 为溶剂， 生成 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethoxy)benzyl]oxy}thiophene-2-carboxamide
  参考文献：
  名称：

  Discovery of thiophene inhibitors of polo-like kinase

  摘要：

  The discovery and development of a series of thiophenes as potent and selective inhibitors of PLK is described. Identification and characterization of 2, a useful in vitro PLK inhibitor tool compound, is also presented. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.041

文献信息

• Thiophene compounds
  申请人：Andrews W Clarence

  公开号：US20060074119A1

  公开（公告）日：2006-04-06

  The present invention provides compounds of formula (1): pharmaceutical compositions containing the same, processes for preparing the same and their use as pharmaceutical agents.

  本发明提供了式（1）的化合物：含有相同化合物的药物组合物，制备该化合物的过程以及它们作为药物剂的用途。
• Benzimidazol-1-YL-thiophene compounds for the treatment of cancer
  申请人：Andrews Clarence W.

  公开号：US20080269298A1

  公开（公告）日：2008-10-30

  The present invention provides compounds of formula (I): pharmaceutical compositions containing the same, processes for preparing the same and their use as pharmaceutical agents.

  本发明提供了式(I)的化合物：含有它们的制药组合物，制备它们的方法以及它们作为药物的用途。
• Process for preparing benzimidazole thiophenes
  申请人：Cheung Mui

  公开号：US20070060576A1

  公开（公告）日：2007-03-15

  The present invention provides a process for preparing benzimidazole thiophene compounds.
• US7465807B2
  申请人：——

  公开号：US7465807B2

  公开（公告）日：2008-12-16
• Discovery of thiophene inhibitors of polo-like kinase
  作者：Kyle A. Emmitte、C. Webb Andrews、Jennifer G. Badiang、Ronda G. Davis-Ward、Hamilton D. Dickson、David H. Drewry、Holly K. Emerson、Andrea H. Epperly、Daniel F. Hassler、Victoria B. Knick、Kevin W. Kuntz、Timothy J. Lansing、James A. Linn、Robert A. Mook、Kristen E. Nailor、James M. Salovich、Glenn M. Spehar、Mui Cheung

  DOI：10.1016/j.bmcl.2008.11.041

  日期：2009.2

  The discovery and development of a series of thiophenes as potent and selective inhibitors of PLK is described. Identification and characterization of 2, a useful in vitro PLK inhibitor tool compound, is also presented. (C) 2008 Elsevier Ltd. All rights reserved.