2-(4-((Benzyl(2-(2,4-dimethylphenylamino)-2-oxoethyl)amino)methyl)phenoxy)-2-methylpropanoic acid | 1235514-80-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(4-((Benzyl(2-(2,4-dimethylphenylamino)-2-oxoethyl)amino)methyl)phenoxy)-2-methylpropanoic acid
• 英文别名: 2-[4-[[benzyl-[2-(2,4-dimethylanilino)-2-oxoethyl]amino]methyl]phenoxy]-2-methylpropanoic acid
• CAS: 1235514-80-3
• 化学式: C₂₈H₃₂N₂O₄
• 分子量: 460.573
• InChiKey: CGRGAPDFXXSASA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-(4-((Benzyl(2-(2,4-dimethylphenylamino)-2-oxoethyl)amino)methyl)phenoxy)-2-methylpropanoic acid
  参考文献：
  名称：

  Glycine amides as PPARα agonists

  摘要：

  The design, synthesis and pharmacological properties of a novel class of PPAR alpha agonists is described. Compound 2 is a novel, potent and specific glycine amide with oral bioavailability in rodents. The compound is active in vivo and alters plasma lipids in hAPO-A1 transgenic mice after oral administration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.019

文献信息

• Glycine amides as PPARα agonists
  作者：Klaus Urbahns、Michael Woltering、Susanne Nikolic、Josef Pernerstorfer、Hilmar Bischoff、Elke Dittrich-Wengenroth、Klemens Lustig

  DOI：10.1016/j.bmcl.2010.04.019

  日期：2010.6

  The design, synthesis and pharmacological properties of a novel class of PPAR alpha agonists is described. Compound 2 is a novel, potent and specific glycine amide with oral bioavailability in rodents. The compound is active in vivo and alters plasma lipids in hAPO-A1 transgenic mice after oral administration. (C) 2010 Elsevier Ltd. All rights reserved.