2-(N-cyclohexyl)amino-5-methyl-3-nitroimidazo[1,2-a]pyridine | 1325733-31-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 2-(N-cyclohexyl)amino-5-methyl-3-nitroimidazo[1,2-a]pyridine
• 英文别名: N-cyclohexyl-5-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
• CAS: 1325733-31-0
• 化学式: C₁₄H₁₈N₄O₂
• 分子量: 274.323
• InChiKey: QCMDJVRMGHELLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 5-methyl-3-nitroimidazo<1,2-a>pyridine-2-carboxylate 在 ammonium hydroxide 、 三氯氧磷 作用下， 反应 9.0h， 生成 2-(N-cyclohexyl)amino-5-methyl-3-nitroimidazo[1,2-a]pyridine
  参考文献：
  名称：

  Effect of the lipophilic parameter (log P) on the anti-parasitic activity of imidazo[1,2-a]pyridine derivatives

  摘要：

  A number of imidazo[1,2-a]pyridine derivatives were selected and investigated in relation to anti-parasitic (Trichomonas vaginalis) activity. After treatment with derivatives, biological activity was assessed by determination of the in vitro viability of cell cultures, using alamar blue as a metabolic indicator. A good correlation was found between the anti-parasitic activity and the partition coefficient log P determined experimentally on the tested compounds, which explained up to 84% of the measured activity. A favorable interval (0.9 +/- A 0.3 log P) was found for optimum biological response.

  DOI：

  10.1007/s00044-010-9547-3