1-(2-methylphenyl)-4-(N'-methylureido)-6-methyl-2,3-dihydropyrrolo<3,2-c>quinoline | 140633-22-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(2-methylphenyl)-4-(N'-methylureido)-6-methyl-2,3-dihydropyrrolo<3,2-c>quinoline
• 英文别名: 1-Methyl-3-(6-methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-4-yl)-urea；1-methyl-3-[6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]urea
• CAS: 140633-22-3
• 化学式: C₂₁H₂₂N₄O
• 分子量: 346.432
• InChiKey: ISIHCUVAGSTCGQ-UHFFFAOYSA-N

物化性质

• 沸点：
  538.9±50.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  57.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(2-ethoxyethyl)-N,N'-bis(2-methylphenyl)malonodiamide 在 苯基磷二酰胺 作用下， 以 四氢呋喃 为溶剂， 反应 11.0h， 生成 1-(2-methylphenyl)-4-(N'-methylureido)-6-methyl-2,3-dihydropyrrolo<3,2-c>quinoline
  参考文献：
  名称：

  Reversible inhibitors of the gastric (H+/K+)-ATPase. 2. 1-Arylpyrrolo[3,2-c]quinolines: effect of the 4-substituent

  摘要：

  Further work on compounds 1 has identified the 4-position as a site where substantial modifications are tolerated, leading to analogues which are more potent and less toxic than those described previously. The best compound in the series is 13a (SK&F 96356), which is a potent inhibitor of gastric acid secretion in both the pentagastrin-stimulated rat and the histamine-stimulated dog. This compound shows reversible, K+-competitive binding to the enzyme. Because of its fluorescent properties, it is also proving useful in vitro as a probe of the structure and function of the (H+/K+)-ATPase.

  DOI：

  10.1021/jm00088a021

文献信息

• Reversible inhibitors of the gastric (H+/K+)-ATPase. 2. 1-Arylpyrrolo[3,2-c]quinolines: effect of the 4-substituent
  作者：Colin A. Leach、Thomas H. Brown、Robert J. Ife、David J. Keeling、Shiona M. Laing、Michael E. Parsons、Carolyn A. Price、Kenneth J. Wiggall

  DOI：10.1021/jm00088a021

  日期：1992.5

  Further work on compounds 1 has identified the 4-position as a site where substantial modifications are tolerated, leading to analogues which are more potent and less toxic than those described previously. The best compound in the series is 13a (SK&F 96356), which is a potent inhibitor of gastric acid secretion in both the pentagastrin-stimulated rat and the histamine-stimulated dog. This compound shows reversible, K+-competitive binding to the enzyme. Because of its fluorescent properties, it is also proving useful in vitro as a probe of the structure and function of the (H+/K+)-ATPase.