7-amino-6-nitroso-8-(pyridin-2-ylmethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one | 75184-82-6

• 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: 7-amino-6-nitroso-8-(pyridin-2-ylmethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
• CAS: 75184-82-6
• 化学式: C₁₂H₁₂N₆O₂
• 分子量: 272.266
• InChiKey: HXOSYKJWHYUXFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  104.25
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  7-amino-6-nitroso-8-(pyridin-2-ylmethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one 以50%的产率得到
  参考文献：
  名称：

  TEMPLE D. L. JR.; YEVICH J. P.; GATT J. D.; OWENS D.; HANNING C.; COVINGT+, J. MED. CHEM., 1980, 23, NO 11, 1188-1198

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨甲基吡啶 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 7-amino-6-nitroso-8-(pyridin-2-ylmethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
  参考文献：
  名称：

  Substituted 6,7-dihydroimidazo[1,2-a]purin-9(4H)-ones

  摘要：

  The synthesis of a series of substituted 6,7-dihydroimidazo[1,2-a]purin-9(4H)-ones is described. Several members of the series exhibit enhanced antiallergic and bronchodilator activity and reduced side effects as compared to theophylline. Structure-activity relationships and metabolic considerations are discussed for the series. Analogues substituted with a 4-(4-chlorobenzyl) moiety, such as 33 and 40, shown an optimal balance of antiallergic and bronchodilator activity and are of particular interest. Compound 33 is significantly more potent than theophylline against both metacholine- and antigen-induced bronchospasms, does not affect spontaneous motor activity, and shows minimal cardiovascular effects in the rat.

  DOI：

  10.1021/jm00185a008