N-(2,6-Dimethyl-phenyl)-2-(2,5-dimethyl-piperazin-1-yl)-acetamide

• 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: N-(2,6-Dimethyl-phenyl)-2-(2,5-dimethyl-piperazin-1-yl)-acetamide
• 英文别名: N-(2,6-dimethylphenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
• 化学式: C₁₆H₂₅N₃O
• 分子量: 275.394
• InChiKey: GWOSNQODLQYRSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲基-5-[[(2R)-环氧乙烷-2-基]甲氧基]-1,3-苯并噻唑 、 N-(2,6-Dimethyl-phenyl)-2-(2,5-dimethyl-piperazin-1-yl)-acetamide 以 乙醇 为溶剂， 生成 N-(2,6-dimethylphenyl)-2-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-2,5-dimethylpiperazin-1-yl]acetamide
  参考文献：
  名称：

  Novel inhibitors of fatty acid oxidation as potential metabolic modulators

  摘要：

  We describe the synthesis of novel inhibitors of fatty acid oxidation as potential metabolic modulators for the treatment of stable angina. Replacement of the 2H-benzo[d]1,3-dioxolene ring system in our initial lead 3 with different benzthiazoles, benzoxazoles and introducing small alkyl substituents into the piperazine ring resulted in analogues with enhanced inhibitory activity against 1-(14)[C]-palmitoyl-CoA oxidation in isolated rat heart mitochondria (6, IC50 = 70 nM; 25, IC50 = 23 nM). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.065

文献信息

• Novel inhibitors of fatty acid oxidation as potential metabolic modulators
  作者：Elfatih Elzein、Kevin Shenk、Prabha Ibrahim、Tim Marquart、Suresh Kerwar、Stephanie Meyer、Hiba Ahmed、Dewan Zeng、Nancy Chu、Daniel Soohoo、Shirley Wong、Kwan Leung、Jeff Zablocki

  DOI：10.1016/j.bmcl.2003.11.065

  日期：2004.2

  We describe the synthesis of novel inhibitors of fatty acid oxidation as potential metabolic modulators for the treatment of stable angina. Replacement of the 2H-benzo[d]1,3-dioxolene ring system in our initial lead 3 with different benzthiazoles, benzoxazoles and introducing small alkyl substituents into the piperazine ring resulted in analogues with enhanced inhibitory activity against 1-(14)[C]-palmitoyl-CoA oxidation in isolated rat heart mitochondria (6, IC50 = 70 nM; 25, IC50 = 23 nM). (C) 2003 Elsevier Ltd. All rights reserved.