7-methoxy-3-(4-methoxyphenyl)-1-propyl-1,2,3,4-tetrahydroquinoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-methoxy-3-(4-methoxyphenyl)-1-propyl-1,2,3,4-tetrahydroquinoline
• 英文别名: 7-methoxy-3-(4-methoxyphenyl)-1-propyl-3,4-dihydro-2H-quinoline
• 化学式: C₂₀H₂₅NO₂
• 分子量: 311.424
• InChiKey: APHOPADCYUSRRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-methoxy-3-(4-methoxyphenyl)-1-propyl-1,2,3,4-tetrahydroquinoline 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以78.8%的产率得到7-hydroxy-3-(4-hydroxy-phenyl)-1-propyl-1,2,3,4-tetrahydroquinoline
  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：

  7-methoxy-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline 、 丙酸 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 以87.4%的产率得到7-methoxy-3-(4-methoxyphenyl)-1-propyl-1,2,3,4-tetrahydroquinoline
  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

文献信息

• Aza analogues of equol: Novel ligands for estrogen receptor β
  作者：Wuhong Chen、Zhaohu Lin、Mengmeng Ning、Chunhao Yang、Xueming Yan、Yuyuan Xie、Xu Shen、Ming-Wei Wang

  DOI：10.1016/j.bmc.2007.05.071

  日期：2007.9.1

  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.