(Z)-2-(4'-methoxy-2'-nitrophenyl)-1-(3,4,5-trifluorophenyl)ethene | 1076240-82-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (Z)-2-(4'-methoxy-2'-nitrophenyl)-1-(3,4,5-trifluorophenyl)ethene
• 英文别名: 1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-2-nitrophenyl)ethenyl]benzene
• CAS: 1076240-82-8
• 化学式: C₁₅H₁₀F₃NO₃
• 分子量: 309.245
• InChiKey: ARBGJUWPWCCEQP-IHWYPQMZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (Z)-2-(4'-methoxy-2'-nitrophenyl)-1-(3,4,5-trifluorophenyl)ethene 在 溶剂黄146 、 锌 作用下， 反应 1.0h， 以68%的产率得到(Z)-2-(4'-methoxy-2'-aminophenyl)-1-(3,4,5-trifluorophenyl)ethene
  参考文献：
  名称：

  Design, synthesis, biochemical, and biological evaluation of nitrogen-containing trifluoro structural modifications of combretastatin A-4

  摘要：

  A new trifluorinated amino-combretastatin analogue, (Z)-2-(40-methoxy-3'-aminophenyl)-1-(3,4,5-trif uorophenyl) ethene, prepared by chemical synthesis, was found to be a potent inhibitor of tubulin assembly (IC50 = 2.9 mu M), and cytotoxic against selected human cancer cell lines. This new lead compound is among the most active from a group of related structural modifications. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.070
• 作为产物：
  描述：

  [(4-甲氧基-2-硝基苯基)甲基]三苯基鏻溴化物 、 3,4,5-三氟苯甲醛 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 24.33h， 以45%的产率得到(Z)-2-(4'-methoxy-2'-nitrophenyl)-1-(3,4,5-trifluorophenyl)ethene
  参考文献：
  名称：

  Design, synthesis, biochemical, and biological evaluation of nitrogen-containing trifluoro structural modifications of combretastatin A-4

  摘要：

  A new trifluorinated amino-combretastatin analogue, (Z)-2-(40-methoxy-3'-aminophenyl)-1-(3,4,5-trif uorophenyl) ethene, prepared by chemical synthesis, was found to be a potent inhibitor of tubulin assembly (IC50 = 2.9 mu M), and cytotoxic against selected human cancer cell lines. This new lead compound is among the most active from a group of related structural modifications. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.070