2-[(E)-2-sec-Butyl-6-ethyl-phenylimino]-9,10-dimethoxy-3-methyl-2,3,6,7-tetrahydro-pyrimido[6,1-a]isoquinolin-4-one | 91210-24-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-[(E)-2-sec-Butyl-6-ethyl-phenylimino]-9,10-dimethoxy-3-methyl-2,3,6,7-tetrahydro-pyrimido[6,1-a]isoquinolin-4-one
• 英文别名: 2-(2-Butan-2-yl-6-ethylphenyl)imino-9,10-dimethoxy-3-methyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
• CAS: 91210-24-1
• 化学式: C₂₇H₃₃N₃O₃
• 分子量: 447.577
• InChiKey: GYPJCTMOLPJZGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  54.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(2-sec-Butyl-6-ethyl-phenylamino)-9,10-dimethoxy-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one 、 碘甲烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 2-[(E)-2-sec-Butyl-6-ethyl-phenylimino]-9,10-dimethoxy-3-methyl-2,3,6,7-tetrahydro-pyrimido[6,1-a]isoquinolin-4-one
  参考文献：
  名称：

  Trequinsin, a potent new antihypertensive vasodilator in the series of 2-(arylimino)-3-alkyl-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido[6,1-a]isoquinolin-4-ones

  摘要：

  Series of 3-substituted-9,10-dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido [6,1-a]isoquinoline-2,4-diones and 2-substituted-9,10-dimethoxy-6,7-dihydro-4H-pyrimido [6,1-a]isoquinolin-4-ones were synthesized and tested for blood pressure lowering properties in anesthetized normotensive cats and conscious spontaneously hypertensive rats. Several compounds in the 2-(arylamino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido [6,1-a]isoquinolin-4-one series display a high order of activity. The most active compounds are the alkyl derivatives of the 2-mesitylamino/2-mesitylimino tautomeric forms. The 2-(mesitylimino)-3-methyl analogue trequinsin is a potent antihypertensive agent and displays a hemodynamic profile characteristic of an arteriolar dilator. It is also a potent inhibitor of both cAMP phosphodiesterase and platelet aggregation.

  DOI：

  10.1021/jm00377a016