6-Methoxy-2-(4-methoxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinoline | 1026818-01-8

• 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: 6-Methoxy-2-(4-methoxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinoline
• 英文别名: 6-methoxy-2-(4-methoxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinoline
• CAS: 1026818-01-8
• 化学式: C₃₁H₃₈N₂O₃
• 分子量: 486.654
• InChiKey: YMHUBTAEXJMISH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  34.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-Methoxy-2-(4-methoxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinoline 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinolin-6-ol
  参考文献：
  名称：

  Tetrahydroquinoline-Based selective estrogen receptor modulators (SERMs)

  摘要：

  A new series of estrogen receptor ligands based on a 6-hydroxy-tetrahydroquinoline scaffold is described, in addition to their binding affinity and functional activity in MCF-7 cells. Several 1,2-disubstituted tetrahydroquinolines bearing a basic side chain were shown to be high affinity ligands and antagonists in the MCF-7 proliferation assay. Compounds lacking the basic side chain were agonists in the MCF-7 assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00306-8
• 作为产物：
  描述：

  6-methoxy-2-(4-methoxyphenyl)quinoline 在 lithium aluminium tetrahydride 、 乙醇 、 sodium 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 6-Methoxy-2-(4-methoxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinoline
  参考文献：
  名称：

  Tetrahydroquinoline-Based selective estrogen receptor modulators (SERMs)

  摘要：

  A new series of estrogen receptor ligands based on a 6-hydroxy-tetrahydroquinoline scaffold is described, in addition to their binding affinity and functional activity in MCF-7 cells. Several 1,2-disubstituted tetrahydroquinolines bearing a basic side chain were shown to be high affinity ligands and antagonists in the MCF-7 proliferation assay. Compounds lacking the basic side chain were agonists in the MCF-7 assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00306-8