6-Methoxy-2-(3-methoxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinoline | 476304-50-4

• 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-(3-methoxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinoline
• 英文别名: 6-methoxy-2-(3-methoxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinoline
• CAS: 476304-50-4
• 化学式: C₃₁H₃₈N₂O₃
• 分子量: 486.654
• InChiKey: QVZRHXCUIQTJGV-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-(3-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-(3-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-(3-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-(3-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

文献信息

• 2-substituted 1,2,3,4-tetrahydroquinolines and derivatives thereof, compositions and methods
  申请人：——

  公开号：US20040215018A1

  公开（公告）日：2004-10-28

  The current invention provides novel 2-substituted 1,2,3,4-tetrahydroquinolin-6-ols and derivatives thereof of the formula (I) (A); pharmaceutical compositions thereof, optionally in combination with estrogen or progestin; methods for inhibiting a disease associated with estrogen deprivation; and methods for inhibiting a disease associated with an aberrant physiological response to endogenous estrogen. 1

  当前发明提供了新型的2-取代的1,2,3,4-四氢喹啉-6-醇及其衍生物，其化学式为(I) (A)；其中包括与雌激素或孕激素可选地结合的制药组合物；用于抑制与雌激素缺乏有关的疾病的方法；以及用于抑制与内源性雌激素异常生理反应有关的疾病的方法。
• 2-SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINES AND DERIVATIVES THEREOF, COMPOSITIONS AND METHODS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1395563A1

  公开（公告）日：2004-03-10
• US7056931B2
  申请人：——

  公开号：US7056931B2

  公开（公告）日：2006-06-06
• [EN] 2-SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINES AND DERIVATIVES THEREOF, COMPOSITIONS AND METHODS<br/>[FR] 1,2,3,4-TETRAHYDROQUINOLINE 2-SUBSTITUEES ET LEURS DERIVES, AINSI QUE LEURS COMPOSITION ET LEURS PROCEDES
  申请人：LILLY CO ELI

  公开号：WO2002094788A1

  公开（公告）日：2002-11-28

  The current invention provides novel 2-substituted 1,2,3,4-tetrahydroquinolin-6-ols and derivatives thereof of the formula (I) (A); pharmaceutical compositions thereof, optionally in combination with estrogen or progestin; methods for inhibiting a disease associated with estrogen deprivation; and methods for inhibiting a disease associated with an aberrant physiological response to endogenous estrogen.