9,10-Dimethoxy-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one | 76536-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 9,10-Dimethoxy-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one
• 英文别名: 9,10-dimethoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
• CAS: 76536-40-8
• 化学式: C₂₅H₂₅F₃N₄O₃
• 分子量: 486.494
• InChiKey: DLAIZEBNQNPQSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  59.83
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1-<2-(3,4-Dimethoxyphenyl)ethyl>pyrimidin-2,4,6(1H,3H,5H)-trion 在 三氯氧磷 作用下， 反应 2.5h， 生成 9,10-Dimethoxy-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-6,7-dihydro-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

文献信息

• LAL, BANSI;DOHADWALLA, ALIHUSSEIN, NOMANBHAI;DADKAR, NANDKUMAR, KESHAV;DS+, J. MED. CHEM., 1984, 27, N 11, 1470-1480
  作者：LAL, BANSI、DOHADWALLA, ALIHUSSEIN, NOMANBHAI、DADKAR, NANDKUMAR, KESHAV、DS+

  DOI：——

  日期：——