[N-(3,4,5-trimethoxyphenyl)-β-(p-fluorophenyl)-β-oxo]propanamide | 1402931-99-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [N-(3,4,5-trimethoxyphenyl)-β-(p-fluorophenyl)-β-oxo]propanamide
• 英文别名: 3-(4-fluorophenyl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
• CAS: 1402931-99-0
• 化学式: C₁₈H₁₈FNO₅
• 分子量: 347.343
• InChiKey: SEGYTWIITZAWLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [N-(3,4,5-trimethoxyphenyl)-β-(p-fluorophenyl)-β-oxo]propanamide 在 polyphosphoric acid 作用下， 以79%的产率得到4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2(1H)-one
  参考文献：
  名称：

  Synthesis and Evaluation of 4-Aryl-2(1H)-quinolinones as Potent Amyloid β Fibrillogenesis Inhibitors

  摘要：

  4-Aryl-2(1H)-quinolinones were synthesized and evaluated in vitro as inhibitors of A beta(1-42) fibrillogenesis using a thioflavin T fluorescence method. The most potent anti-aggregating molecules (4b and 5c) were found among the derivatives bearing OH and/or OMe groups at C-4' (R-4) and/or C-6 (R-2) of the 4-aryl-2(1H)-quinolinone moiety. Furthermore, the derivative bearing 4'-F substituent (4f) proved to be a very active inhibitor.

  DOI：

  10.3987/com-12-12506
• 作为产物：
  描述：

  4-氟苯甲酰乙酸乙酯 、 3,4,5-三甲氧基苯胺 以 吡啶 为溶剂， 以78%的产率得到[N-(3,4,5-trimethoxyphenyl)-β-(p-fluorophenyl)-β-oxo]propanamide
  参考文献：
  名称：

  Synthesis and Evaluation of 4-Aryl-2(1H)-quinolinones as Potent Amyloid β Fibrillogenesis Inhibitors

  摘要：

  4-Aryl-2(1H)-quinolinones were synthesized and evaluated in vitro as inhibitors of A beta(1-42) fibrillogenesis using a thioflavin T fluorescence method. The most potent anti-aggregating molecules (4b and 5c) were found among the derivatives bearing OH and/or OMe groups at C-4' (R-4) and/or C-6 (R-2) of the 4-aryl-2(1H)-quinolinone moiety. Furthermore, the derivative bearing 4'-F substituent (4f) proved to be a very active inhibitor.

  DOI：

  10.3987/com-12-12506