3-(benzyloxy)-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide | 1135120-35-2

• 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: 3-(benzyloxy)-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
• 英文别名: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carboxamide
• CAS: 1135120-35-2
• 化学式: C₂₁H₁₉N₃O₄S
• 分子量: 409.466
• InChiKey: BVFNLUKEPFBRGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 氨 作用下， 以 甲醇 为溶剂， 生成 3-(benzyloxy)-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)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

• 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.