4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one | 1608496-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 4-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)pyrrolidin-2-one
• CAS: 1608496-70-3
• 化学式: C₂₀H₂₁ClN₂O
• 分子量: 340.853
• InChiKey: SSVPEPVAUZOGFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  7-溴-2,3,4,5-四氢-1H-苯并[d]氮杂卓 、 4-(2-氯苯基)-吡咯烷-2-酮 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-(2-chlorophenyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-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.