rac-2-(4-chlorophenyl)-3-methyl-N-(pyrimidin-2-yl)butanamide | 1208552-65-1

• 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: rac-2-(4-chlorophenyl)-3-methyl-N-(pyrimidin-2-yl)butanamide
• 英文别名: 2-(4-chlorophenyl)-3-methyl-N-pyrimidin-2-ylbutanamide
• CAS: 1208552-65-1
• 化学式: C₁₅H₁₆ClN₃O
• 分子量: 289.765
• InChiKey: YNGMIIPSPNEYNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  54.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,3,5-三嗪-2,4,6-三胺,N,N'''-1,2-乙二基二[N-[3-[[4,6-二[丁基(2,2,6,6-四甲基-4-哌啶基)氨基]-1,3,5-三嗪-2-基]氨基]丙基]-N,N''-二丁基-N,N''-二(2,2,6,6-四甲基-4-哌啶基)- 、 2-(4-氯苯基)-3-甲基丁酸 在 2,4,6-三甲基吡啶 、 草酰氯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 rac-2-(4-chlorophenyl)-3-methyl-N-(pyrimidin-2-yl)butanamide
  参考文献：
  名称：

  The first synthetic agonists of FFA2: Discovery and SAR of phenylacetamides as allosteric modulators

  摘要：

  Free fatty acid receptor 2 (FFA2) is a G-protein coupled receptor for which only short-chain fatty acids (SCFAs) have been reported as endogenous ligands. We describe the discovery and optimization of phenylacetamides as allosteric agonists of FFA2. These novel ligands can suppress adipocyte lipolysis in vitro and reduce plasma FFA levels in vivo, suggesting that these allosteric modulators can serve as pharmacological tools for exploring the potential function of FFA2 in various disease conditions. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.112

文献信息

• The first synthetic agonists of FFA2: Discovery and SAR of phenylacetamides as allosteric modulators
  作者：Yingcai Wang、Xianyun Jiao、Frank Kayser、Jiwen Liu、Zhongyu Wang、Malgorzata Wanska、Joanne Greenberg、Jennifer Weiszmann、Hongfei Ge、Hui Tian、Simon Wong、Ralf Schwandner、Taeweon Lee、Yang Li

  DOI：10.1016/j.bmcl.2009.11.112

  日期：2010.1

  Free fatty acid receptor 2 (FFA2) is a G-protein coupled receptor for which only short-chain fatty acids (SCFAs) have been reported as endogenous ligands. We describe the discovery and optimization of phenylacetamides as allosteric agonists of FFA2. These novel ligands can suppress adipocyte lipolysis in vitro and reduce plasma FFA levels in vivo, suggesting that these allosteric modulators can serve as pharmacological tools for exploring the potential function of FFA2 in various disease conditions. (C) 2009 Elsevier Ltd. All rights reserved.