N-(2-amino-2-oxo-1,1-diphenylethyl)-3-(chloromethyl)benzamide | 245038-87-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2-amino-2-oxo-1,1-diphenylethyl)-3-(chloromethyl)benzamide
• CAS: 245038-87-3
• 化学式: C₂₂H₁₉ClN₂O₂
• 分子量: 378.858
• InChiKey: IUOWLXQQZXAHAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  72.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-amino-2-oxo-1,1-diphenylethyl)-3-(chloromethyl)benzamide 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以2.0 g的产率得到2-[3-(chloromethyl)phenyl]-5,5-diphenyl-3,5-dihydro-1H-imidazol-4-one
  参考文献：
  名称：

  Synthesis and evaluation of 5,5-diphenylimidazolones as potent human neuropeptide Y5 receptor antagonists

  摘要：

  A series of novel 5,5-diphenylimidazolones was synthesized and evaluated for activity against the human neuropeptide Y5 receptor. The 3-pyridyl analog 46 demonstrated an IC50 of 8.3 nM with a favorable pharmacokinetic profile in rats, but was ineffective in reducing food intake. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.04.042
• 作为产物：
  描述：

  苯妥英钠杂质E 、 3-(氯甲基)苯甲酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(2-amino-2-oxo-1,1-diphenylethyl)-3-(chloromethyl)benzamide
  参考文献：
  名称：

  Synthesis and evaluation of 5,5-diphenylimidazolones as potent human neuropeptide Y5 receptor antagonists

  摘要：

  A series of novel 5,5-diphenylimidazolones was synthesized and evaluated for activity against the human neuropeptide Y5 receptor. The 3-pyridyl analog 46 demonstrated an IC50 of 8.3 nM with a favorable pharmacokinetic profile in rats, but was ineffective in reducing food intake. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.04.042

文献信息

• Synthesis and evaluation of 5,5-diphenylimidazolones as potent human neuropeptide Y5 receptor antagonists
  作者：Kevin W. Gillman、Mendi A. Higgins、Graham S. Poindexter、Marc Browning、Wendy J. Clarke、Sharon Flowers、James E. Grace、John B. Hogan、Rachel T. McGovern、Lawrence G. Iben、Gail K. Mattson、Astrid Ortiz、Stefanie Rassnick、John W. Russell、Ildiko Antal-Zimanyi

  DOI：10.1016/j.bmc.2006.04.042

  日期：2006.8

  A series of novel 5,5-diphenylimidazolones was synthesized and evaluated for activity against the human neuropeptide Y5 receptor. The 3-pyridyl analog 46 demonstrated an IC50 of 8.3 nM with a favorable pharmacokinetic profile in rats, but was ineffective in reducing food intake. (c) 2006 Elsevier Ltd. All rights reserved.