2-(2,6-dimethylphenyl)-4-methoxy-N-(3-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine | 1046488-71-4

• 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: 2-(2,6-dimethylphenyl)-4-methoxy-N-(3-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
• CAS: 1046488-71-4
• 化学式: C₂₇H₃₂N₂O₂
• 分子量: 416.563
• InChiKey: HFJAMWJPXYAPQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  34.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 0.17h， 生成 2-(2,6-dimethylphenyl)-4-methoxy-N-(3-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine
  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

• 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.