N-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)-N-ethylfuran-2-carboxamide hydrochloride | 1567842-51-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)-N-ethylfuran-2-carboxamide hydrochloride
• 英文别名: N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethylfuran-2-carboxamide;hydrochloride
• CAS: 1567842-51-6
• 化学式: C₂₀H₂₅ClN₂O₂*ClH
• 分子量: 397.345
• InChiKey: GNFCNYLNANVAHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.73
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  36.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)-N-ethylfuran-2-carboxamide 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 N-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)-N-ethylfuran-2-carboxamide hydrochloride
  参考文献：
  名称：

  Synthesis and receptor binding studies of some new arylcarboxamide derivatives as sigma-1 ligands

  摘要：

  We describe here the synthesis and the binding interaction with sigma(1) and sigma(2) receptors of a series of new arylcarboxamide derivatives variously substituted on the aromatic portions. Maintaining a partial scaffold of a series of compounds previously synthesized by us, we evaluate the effect of the substitution on r binding. The synthesized compounds have been tested to estimate their affinity and selectivity toward sigma(1) and sigma(2) receptors. Two out of 16 derivatives showed an interesting sigma(1) affinity (21.2 and 13.6 nM-compounds 2m and 2p) and a good selectivity (K-i(sigma(2))/K-i(sigma(1)) >140 and >40, respectively). (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.032

文献信息

• Synthesis and receptor binding studies of some new arylcarboxamide derivatives as sigma-1 ligands
  作者：Daniele Zampieri、Erik Laurini、Luciano Vio、Samuel Golob、Maurizio Fermeglia、Sabrina Pricl、Maria Grazia Mamolo

  DOI：10.1016/j.bmcl.2014.01.032

  日期：2014.2

  We describe here the synthesis and the binding interaction with sigma(1) and sigma(2) receptors of a series of new arylcarboxamide derivatives variously substituted on the aromatic portions. Maintaining a partial scaffold of a series of compounds previously synthesized by us, we evaluate the effect of the substitution on r binding. The synthesized compounds have been tested to estimate their affinity and selectivity toward sigma(1) and sigma(2) receptors. Two out of 16 derivatives showed an interesting sigma(1) affinity (21.2 and 13.6 nM-compounds 2m and 2p) and a good selectivity (K-i(sigma(2))/K-i(sigma(1)) >140 and >40, respectively). (C) 2014 Elsevier Ltd. All rights reserved.