N-(2-(aminomethyl)phenyl)-2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine | 1046488-91-8

• 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: N-(2-(aminomethyl)phenyl)-2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
• 英文别名: N-[2-(aminomethyl)phenyl]-2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine
• CAS: 1046488-91-8
• 化学式: C₂₇H₃₃N₃O
• 分子量: 415.579
• InChiKey: CWGFQZMJLFGWDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  60.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-氯-2-(2,6-二乙基苯基)-4-甲氧基-5,6,7,8-四氢喹啉 、 2-氨基苄胺 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 N-(2-(aminomethyl)phenyl)-2-(2,6-diethylphenyl)-4-methoxy-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