3-(5-Ethoxy-2,4-dimethoxy-phenyl)-1-(2-trifluoromethyl-phenyl)-propenone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-(5-Ethoxy-2,4-dimethoxy-phenyl)-1-(2-trifluoromethyl-phenyl)-propenone
• 英文别名: (E)-1-[2-(trifluoromethyl)phenyl]-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• 化学式: C₁₉H₁₇F₃O₄
• 分子量: 366.337
• InChiKey: PYCDOKPMZKGKJH-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,4,5-三甲氧基苯甲醛 、 邻三氟甲基苯乙酮 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以62%的产率得到3-(5-Ethoxy-2,4-dimethoxy-phenyl)-1-(2-trifluoromethyl-phenyl)-propenone
  参考文献：
  名称：

  The synthesis and effect of fluorinated chalcone derivatives on nitric oxide production

  摘要：

  Dimethoxy- and trimethoxychalcone derivatives, with various patterns of fluorination, were synthesized and evaluated for their influence on nitric oxide production. Some of them, chalcones 1, 5, 7, 10, 11 and 17, inhibited NO production with an IC50 in the submicromolar range; 17 is especially noteworthy because of its potency (IC50 30 nM). These effects were not the consequence of a direct inhibitory action on enzyme activity but the inhibition of enzyme expression. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00317-7

文献信息

• The synthesis and effect of fluorinated chalcone derivatives on nitric oxide production
  作者：Javier Rojas、Miguel Payá、José N Dominguez、M Luisa Ferrándiz

  DOI：10.1016/s0960-894x(02)00317-7

  日期：2002.8

  Dimethoxy- and trimethoxychalcone derivatives, with various patterns of fluorination, were synthesized and evaluated for their influence on nitric oxide production. Some of them, chalcones 1, 5, 7, 10, 11 and 17, inhibited NO production with an IC50 in the submicromolar range; 17 is especially noteworthy because of its potency (IC50 30 nM). These effects were not the consequence of a direct inhibitory action on enzyme activity but the inhibition of enzyme expression. (C) 2002 Elsevier Science Ltd. All rights reserved.