1,3-二丙基-8-(4-乙酰氨基苯基)黄嘌呤 | 102587-81-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 1,3-二丙基-8-(4-乙酰氨基苯基)黄嘌呤
• 英文名称: 1,3-dipropyl-8-(4-acetamidophenyl)xanthine
• 英文别名: N-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acetamide；N-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]acetamide
• CAS: 102587-81-5
• 化学式: C₁₉H₂₃N₅O₃
• 分子量: 369.423
• InChiKey: KBKWBAQGXNNSST-UHFFFAOYSA-N

物化性质

• 密度：
  1.276±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  98.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对乙酰氨基苯甲酸 在 氯化亚砜 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 0.25h， 生成 1,3-二丙基-8-(4-乙酰氨基苯基)黄嘌呤
  参考文献：
  名称：

  Analogs of 1,3-dipropyl-8-phenylxanthine: enhancement of selectivity at A1-adenosine receptors by aryl substituents

  摘要：

  The effect of a variety of aryl substituents on the potency and selectivity of 19 analogues of 1,3-dipropyl-8-phenylxanthine as antagonists at A1- and A2-adenosine receptors in brain tissue was determined. The 4-sulfamoylphenyl and 4-carbamoylphenyl analogues are potent and somewhat selective for the A1 receptor. None of the dihydroxyphenyl analogues are remarkably potent, but all are selective for the A1 receptor. 1,3-Dipropyl-8-(2-hydroxy-4-methoxyphenyl)xanthine is the most selective A1 antagonist of the analogues with a A1/A2 potency ratio of about 90.

  DOI：

  10.1021/jm00158a034