rac-N-benzyl-3-(6-methoxynaphth-2-yl)-N-methylbutan-1-amine | 1219009-28-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: rac-N-benzyl-3-(6-methoxynaphth-2-yl)-N-methylbutan-1-amine
• 英文别名: (R/S)-N-Benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbutan-1-amine；N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbutan-1-amine
• CAS: 1219009-28-5
• 化学式: C₂₃H₂₇NO
• 分子量: 333.473
• InChiKey: JMYRECYSHPHFSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (E)-N-benzyl-3-(6-methoxynaphth-2-yl)-N-methylbut-2-en-1-amine hydrochloride 在 氢气 、 乙二胺 作用下， 以 乙醇 为溶剂， 以46%的产率得到rac-N-benzyl-3-(6-methoxynaphth-2-yl)-N-methylbutan-1-amine
  参考文献：
  名称：

  Design, synthesis and SAR analysis of novel selective σ1 ligands (Part 2)

  摘要：

  In order to investigate the molecular features involved in sigma receptors (sigma-Rs) binding, new compounds based on arylalkylaminoalcoholic, arylalkenyl- and arylalkylaminic scaffolds were synthesized and their affinity towards sigma(1)- and sigma(2)-Rs subtypes was evaluated. The most promising compounds were also screened for their affinity at mu-opioid, delta-opioid and kappa-opioid receptors. Biological results are herein presented and discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.12.039