1-benzyl-5-isobutyl-7-methylimidazo[4,5-g]quinazoline-6,8(5H,7H)-dione | 101031-52-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-benzyl-5-isobutyl-7-methylimidazo[4,5-g]quinazoline-6,8(5H,7H)-dione
• 英文别名: 1-Benzyl-7-methyl-5-(2-methylpropyl)imidazo[4,5-g]quinazoline-6,8-dione
• CAS: 101031-52-1
• 化学式: C₂₁H₂₂N₄O₂
• 分子量: 362.431
• InChiKey: FOPGTHUTXLURMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  566.0±60.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氯化苄 、 5-Isobutyl-7-methyl-1,5-dihydro-imidazo[4,5-g]quinazoline-6,8-dione 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 1-benzyl-5-isobutyl-7-methylimidazo[4,5-g]quinazoline-6,8(5H,7H)-dione
  参考文献：
  名称：

  Inhibition of cyclic nucleotide phosphodiesterases from pig coronary artery by benzo-separated analogs of 3-isobutyl-1-methylxanthine

  摘要：

  The linear and proximal benzo-separated analogues of 7-benzyl-3-isobutyl-1-methylxanthine, 3-isobutyl-1,8-dimethylxanthine, 3-isobutyl-8-tert-butyl-1-methylxanthine, 3-isobutyl-8-(methoxymethyl)-1-methylxanthine , and 1-isoamyl-3-isobutylxanthine have been prepared and assayed as inhibitors of the peak I and peak II forms of cyclic nucleotide phosphodiesterase from pig coronary artery. Most of the benzo analogues were less effective inhibitors of these phosphodiesterases when compared to 3-isobutyl-1-methylxanthine (IBMX) even though the active sites of both enzyme forms tolerated the stretched-out xanthines. Indeed, the linear benzo-separated analogue of 7-benzyl-IBMX was a more potent inhibitor of peak I activity than was IBMX.

  DOI：

  10.1021/jm00156a013

文献信息

• Inhibition of cyclic nucleotide phosphodiesterases from pig coronary artery by benzo-separated analogs of 3-isobutyl-1-methylxanthine
  作者：Stewart W. Schneller、Augusto C. Ibay、Elizabeth A. Martinson、Jack N. Wells

  DOI：10.1021/jm00156a013

  日期：1986.6

  The linear and proximal benzo-separated analogues of 7-benzyl-3-isobutyl-1-methylxanthine, 3-isobutyl-1,8-dimethylxanthine, 3-isobutyl-8-tert-butyl-1-methylxanthine, 3-isobutyl-8-(methoxymethyl)-1-methylxanthine , and 1-isoamyl-3-isobutylxanthine have been prepared and assayed as inhibitors of the peak I and peak II forms of cyclic nucleotide phosphodiesterase from pig coronary artery. Most of the benzo analogues were less effective inhibitors of these phosphodiesterases when compared to 3-isobutyl-1-methylxanthine (IBMX) even though the active sites of both enzyme forms tolerated the stretched-out xanthines. Indeed, the linear benzo-separated analogue of 7-benzyl-IBMX was a more potent inhibitor of peak I activity than was IBMX.