7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one | 945619-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
• CAS: 945619-44-3
• 化学式: C₁₇H₁₇NO₃
• 分子量: 283.327
• InChiKey: YNQHZKPDXOXDQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以96%的产率得到7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-quinoline-2-thione
  参考文献：
  名称：

  Aza analogues of equol: Novel ligands for estrogen receptor β

  摘要：

  3-Aryl-tetrahydroquinolines, aza analogues of equol, are synthesized and evaluated for their binding properties to the estrogen receptors ER alpha and ER beta. Several of these compounds exhibited binding selectivity for ER similar to that of genistein. Compounds 8c and 8d were found to have dual actions: antagonists for ERa and agonists for ER beta in a yeast two-hybrid assay. These compounds have no estrogenic effects on the uterus and bone in vivo. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.05.071
• 作为产物：
  描述：

  (E)-3-(4-methoxy-2-nitrophenyl)-2-(4-methoxyphenyl)acrylic acid 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 12.0h， 以93%的产率得到7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
  参考文献：
  名称：

  Aza analogues of equol: Novel ligands for estrogen receptor β

  摘要：

  3-Aryl-tetrahydroquinolines, aza analogues of equol, are synthesized and evaluated for their binding properties to the estrogen receptors ER alpha and ER beta. Several of these compounds exhibited binding selectivity for ER similar to that of genistein. Compounds 8c and 8d were found to have dual actions: antagonists for ERa and agonists for ER beta in a yeast two-hybrid assay. These compounds have no estrogenic effects on the uterus and bone in vivo. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.05.071