3-(3-dimethylamino-propyl)-5,5-diphenyl-imidazolidine-2,4-dione | 109399-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3-(3-dimethylamino-propyl)-5,5-diphenyl-imidazolidine-2,4-dione
• 英文别名: 3-(3-Dimethylamino-propyl)-5,5-diphenyl-imidazolidin-2,4-dion；3-[3-(dimethylamino)propyl]-5,5-diphenylimidazolidine-2,4-dione
• CAS: 109399-11-3
• 化学式: C₂₀H₂₃N₃O₂
• 分子量: 337.422
• InChiKey: HJIPTYIITWBCLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3-dimethylamino-propyl)-5,5-diphenyl-imidazolidine-2,4-dione 在 红铝 作用下， 以 四氢呋喃 、 甲苯 、 乙腈 为溶剂， 反应 6.0h， 生成 benzyl-dimethyl-[3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-propyl]-ammonium trifluoroacetate
  参考文献：
  名称：

  Discovery of Diaryl Imidazolidin-2-one Derivatives, a Novel Class of Muscarinic M3 Selective Antagonists (Part 2)

  摘要：

  Synthesis and biological activity of a novel class of quaternary ammonium salt muscarinic M3 receptor antagonists, showing high selectivity versus the M2 receptor, are described. Selected compounds exhibited potent anticholinergic properties, in isolated guinea-pig trachea, and good functional selectivity for trachea over atria. In vivo, the same compounds potently inhibited acetylcholine-induced bronchoconstriction after intratracheal administration in the guinea pig.

  DOI：

  10.1021/jm061160+
• 作为产物：
  描述：

  3-二甲氨基-1-丙醇 、 苯妥英 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 3-(3-dimethylamino-propyl)-5,5-diphenyl-imidazolidine-2,4-dione
  参考文献：
  名称：

  Discovery of Diaryl Imidazolidin-2-one Derivatives, a Novel Class of Muscarinic M3 Selective Antagonists (Part 2)

  摘要：

  Synthesis and biological activity of a novel class of quaternary ammonium salt muscarinic M3 receptor antagonists, showing high selectivity versus the M2 receptor, are described. Selected compounds exhibited potent anticholinergic properties, in isolated guinea-pig trachea, and good functional selectivity for trachea over atria. In vivo, the same compounds potently inhibited acetylcholine-induced bronchoconstriction after intratracheal administration in the guinea pig.

  DOI：

  10.1021/jm061160+