2-[2-[[2-(2,6-Diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol | 1046489-05-7

• 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: 2-[2-[[2-(2,6-Diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol
• CAS: 1046489-05-7
• 化学式: C₃₀H₃₈N₂O₂
• 分子量: 458.644
• InChiKey: OTZFBBYPIRPLBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  54.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-chloro-2-(2,6-diethylphenyl)-4-isopropoxy-5,6,7,8-tetrahydroquinoline 、 2-氨基苯乙醇 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 2-[2-[[2-(2,6-Diethylphenyl)-4-propan-2-yloxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]phenyl]ethanol
  参考文献：
  名称：

  Design and optimization of aniline-substituted tetrahydroquinoline C5a receptor antagonists

  摘要：

  A series of aniline-substituted tetrahydroquinoline C5a receptor antagonists were discovered. A functionality requirement of ortho substitution on the aniline was revealed. Secondary anilines, in general, outperformed tertiary analogs in inhibition of C5a-induced calcium mobilization. Further enhancement of activity was realized in the presence of an ortho hydroxyalkyl side chain. The functional IC(50) of selected analogs was optimized to the single-digit nanomolar level. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.059

文献信息

• [EN] SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS DE 5,6,7,8-TÉTRAHYDROQUINOLÉINES SUBSTITUÉES, COMPOSITIONS ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009023669A1

  公开（公告）日：2009-02-19

  Substituted 5,6,7,8-tetrahydroquinoline derivatives, which are C5a receptor modulators, compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions, including, inter alia, immune and inflammatory diseases and conditions, are disclosed.
• Design and optimization of aniline-substituted tetrahydroquinoline C5a receptor antagonists
  作者：Yong Gong、J. Kent Barbay、Mieke Buntinx、Jian Li、Jean Van Wauwe、Concha Claes、Guy Van Lommen、Pamela J. Hornby、Wei He

  DOI：10.1016/j.bmcl.2008.06.059

  日期：2008.7

  A series of aniline-substituted tetrahydroquinoline C5a receptor antagonists were discovered. A functionality requirement of ortho substitution on the aniline was revealed. Secondary anilines, in general, outperformed tertiary analogs in inhibition of C5a-induced calcium mobilization. Further enhancement of activity was realized in the presence of an ortho hydroxyalkyl side chain. The functional IC(50) of selected analogs was optimized to the single-digit nanomolar level. (C) 2008 Elsevier Ltd. All rights reserved.