4-Butyl-6-(4-ethyl-phenyl)-pyridine-2-carboxylic acid | 86696-74-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-Butyl-6-(4-ethyl-phenyl)-pyridine-2-carboxylic acid
• 英文别名: 4-Butyl-6-(4-ethylphenyl)pyridine-2-carboxylic acid
• CAS: 86696-74-4
• 化学式: C₁₈H₂₁NO₂
• 分子量: 283.37
• InChiKey: GMZFLFCHUHJNKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Butyl-6-(4-ethyl-phenyl)-pyridine-2-carboxylic acid 在 氯化亚砜 作用下， 反应 1.0h， 生成
  参考文献：
  名称：

  Antiallergic agents. 2. N-(1H-Tetrazol-5-yl)-6-phenyl-2-pyridinecarboxamides

  摘要：

  A new series of N-(1H-tetrazol-5-yl)-6-phenyl-2-pyridinecarboxamides was prepared to determine the effects of substituents on the benzene and pyridine rings on antiallergic activity in the rat passive cutaneous anaphylaxis (PCA) assay after oral administration. One member of this series, N-(1H-tetrazol-5-yl)-4-methyl-6-[4-(methylamino)-phenyl]-2- pyridinecarboxamide (231), has an ED50 value of 0.8 mg/kg po and is 85 times more potent than disodium cromoglycate (DSCG) on intravenous administration. Further evaluation of 231 as a clinically useful antiallergic agent is in progress.

  DOI：

  10.1021/jm00364a026
• 作为产物：
  描述：

  4-Butyl-6-(4-ethyl-phenyl)-pyridine-2-carbonitrile 在 盐酸 作用下， 反应 11.0h， 生成 4-Butyl-6-(4-ethyl-phenyl)-pyridine-2-carboxylic acid
  参考文献：
  名称：

  Antiallergic agents. 2. N-(1H-Tetrazol-5-yl)-6-phenyl-2-pyridinecarboxamides

  摘要：

  A new series of N-(1H-tetrazol-5-yl)-6-phenyl-2-pyridinecarboxamides was prepared to determine the effects of substituents on the benzene and pyridine rings on antiallergic activity in the rat passive cutaneous anaphylaxis (PCA) assay after oral administration. One member of this series, N-(1H-tetrazol-5-yl)-4-methyl-6-[4-(methylamino)-phenyl]-2- pyridinecarboxamide (231), has an ED50 value of 0.8 mg/kg po and is 85 times more potent than disodium cromoglycate (DSCG) on intravenous administration. Further evaluation of 231 as a clinically useful antiallergic agent is in progress.

  DOI：

  10.1021/jm00364a026