rac-2-(6-methoxynaphth-2-yl)-4-(piperidin-1-yl)butan-2-ol | 1219009-24-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: rac-2-(6-methoxynaphth-2-yl)-4-(piperidin-1-yl)butan-2-ol
• 英文别名: (R/S)-2-(6-Methoxynaphthalen-2-yl)-4-(piperidin-1-yl)butan-2-ol；2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol
• CAS: 1219009-24-1
• 化学式: C₂₀H₂₇NO₂
• 分子量: 313.44
• InChiKey: QYDUURMPROTJFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  rac-2-(6-methoxynaphth-2-yl)-4-(piperidin-1-yl)butan-2-ol 在 碘 、 sodium hydrogensulfite 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 (Z)-1-(3-(6-methoxynaphth-2-yl)but-2-enyl)piperidine 、 (E)-1-(3-(6-methoxynaphth-2-yl)but-2-enyl)piperidine
  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
• 作为产物：
  描述：

  4-piperidin-1-yl-butan-2-one 、 2-溴-6-甲氧基萘 在 叔丁基锂 、 水 作用下， 以 乙醚 、 正戊烷 为溶剂， 以46%的产率得到rac-2-(6-methoxynaphth-2-yl)-4-(piperidin-1-yl)butan-2-ol
  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

文献信息

• Design, synthesis and SAR analysis of novel selective σ1 ligands (Part 2)
  作者：Daniela Rossi、Mariangela Urbano、Alice Pedrali、Massimo Serra、Daniele Zampieri、Maria Grazia Mamolo、Christian Laggner、Caterina Zanette、Chiara Florio、Dirk Schepmann、Bernard Wuensch、Ornella Azzolina、Simona Collina

  DOI：10.1016/j.bmc.2009.12.039

  日期：2010.2

  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.