9,10-Dimethoxy-3-phenethyl-6,7-dihydro-pyrimido[6,1-a]isoquinoline-2,4-dione | 91209-63-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 9,10-Dimethoxy-3-phenethyl-6,7-dihydro-pyrimido[6,1-a]isoquinoline-2,4-dione
• 英文别名: 9,10-dimethoxy-3-(2-phenylethyl)-6,7-dihydropyrimido[6,1-a]isoquinoline-2,4-dione
• CAS: 91209-63-1
• 化学式: C₂₂H₂₂N₂O₄
• 分子量: 378.428
• InChiKey: NAQOJPKAAMPKOH-UHFFFAOYSA-N

物化性质

• 熔点：
  196-200 °C(Solv: methanol (67-56-1))
• 沸点：
  572.7±60.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  62.46
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  9,10-Dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido(6,1-a)isoquinolin-2,4-dione 生成 9,10-Dimethoxy-3-phenethyl-6,7-dihydro-pyrimido[6,1-a]isoquinoline-2,4-dione
  参考文献：
  名称：

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

  摘要：

  DOI：

文献信息

• 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
  作者：Bansi Lal、Alihussein Nomanbhai Dohadwalla、Nandkumar Keshav Dadkar、Adolf D'Sa、Noel John De Souza

  DOI：10.1021/jm00377a016

  日期：1984.11

  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.