4-Phenyl-1-(6-piperazin-1-ylpyridin-2-yl)pyrrolidin-2-one | 1608496-76-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-Phenyl-1-(6-piperazin-1-ylpyridin-2-yl)pyrrolidin-2-one
• 英文别名: 4-phenyl-1-(6-piperazin-1-ylpyridin-2-yl)pyrrolidin-2-one
• CAS: 1608496-76-9
• 化学式: C₁₉H₂₂N₄O
• 分子量: 322.41
• InChiKey: JTZUMNVMBJLUQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  623.4±55.0 °C(Predicted)
• 密度：
  1.211±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-苯基-2-吡咯烷酮 、 1-(6-溴-2-吡啶基)哌嗪 在 potassium phosphate 、 copper(l) iodide 、 trans-N,N-dimethyl-cyclohexane-1,2-diamine 、 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 4-Phenyl-1-(6-piperazin-1-ylpyridin-2-yl)pyrrolidin-2-one
  参考文献：
  名称：

  Lactam and oxazolidinone derived potent 5-hydroxytryptamine 6 receptor antagonists

  摘要：

  Lactam and oxazolidinone derived potent 5-hydroxytryptamine 6 (5-HT6) receptor antagonists have been disclosed. One potent member from the lactam series, racemic compound 14 (K-i of 2.6 nM in binding assay, IC50 of 15 nM in functional cAMP antagonism assay) was separated into corresponding enantiomers that displayed the effect of chirality on binding potency (K-i of 1.6 nM and 3000 nM, respectively). The potent enantiomer displayed an IC50 of 8 nM in cAMP antagonism assay, selectivity against a number of family members as well as brain permeability in rats after 6 h post oral administration. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.03.049

文献信息

• Lactam and oxazolidinone derived potent 5-hydroxytryptamine 6 receptor antagonists
  作者：Greg Hostetler、Derek Dunn、Beth Ann McKenna、Karla Kopec、Sankar Chatterjee

  DOI：10.1016/j.bmcl.2014.03.049

  日期：2014.5

  Lactam and oxazolidinone derived potent 5-hydroxytryptamine 6 (5-HT6) receptor antagonists have been disclosed. One potent member from the lactam series, racemic compound 14 (K-i of 2.6 nM in binding assay, IC50 of 15 nM in functional cAMP antagonism assay) was separated into corresponding enantiomers that displayed the effect of chirality on binding potency (K-i of 1.6 nM and 3000 nM, respectively). The potent enantiomer displayed an IC50 of 8 nM in cAMP antagonism assay, selectivity against a number of family members as well as brain permeability in rats after 6 h post oral administration. (C) 2014 Elsevier Ltd. All rights reserved.