(E)-2-(4'-methoxy-3'-aminophenyl)-1-(3,4,5-trifluorophenyl)ethene | 1076240-89-5

• 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: (E)-2-(4'-methoxy-3'-aminophenyl)-1-(3,4,5-trifluorophenyl)ethene
• 英文别名: 2-methoxy-5-[(E)-2-(3,4,5-trifluorophenyl)ethenyl]aniline
• CAS: 1076240-89-5
• 化学式: C₁₅H₁₂F₃NO
• 分子量: 279.262
• InChiKey: DXFYPARMOXPYJE-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 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：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (E)-2-(4'-methoxy-3'-nitrophenyl)-1-(3,4,5-trifluorophenyl)ethene 在 溶剂黄146 、 锌 作用下， 反应 1.0h， 以84%的产率得到(E)-2-(4'-methoxy-3'-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

文献信息

• Design, synthesis, biochemical, and biological evaluation of nitrogen-containing trifluoro structural modifications of combretastatin A-4
  作者：John J. Hall、Madhavi Sriram、Tracy E. Strecker、Justin K. Tidmore、Christopher J. Jelinek、G.D. Kishore Kumar、Mallinath B. Hadimani、George R. Pettit、David J. Chaplin、Mary Lynn Trawick、Kevin G. Pinney

  DOI：10.1016/j.bmcl.2008.07.070

  日期：2008.9

  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.