2-methyl-5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol | 151965-16-1

• 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: 2-methyl-5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
• CAS: 151965-16-1
• 化学式: C₂₉H₃₂N₂O₄
• 分子量: 472.584
• InChiKey: UXSUYHOSNPVHSO-UHFFFAOYSA-N

物化性质

• 沸点：
  606.9±65.0 °C(predicted)
• 密度：
  1.21±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.35
• 重原子数：
  35.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  63.52
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-methyl-5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 16.0h， 生成 2-methyl-5-<4-<2-(3,4,5-trimethoxyphenyl)ethyl>phenyl>-2,3-dihydroimidazo<2,1-a>isoquinoline
  参考文献：
  名称：

  Structural modification of 5-aryl-2,3-dihydroimidazo[2,1-a]isoquinoline platelet activating factor receptor antagonists

  摘要：

  In an effort to determine the effect of modification of the imidazo[2,1-a]isoquinoline portion of the PAF-receptor antagonist SDZ 64-412 (1), several new analogs were prepared and evaluated in vitro and in vivo. One of these, 5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[1,2-a]thieno[2,3-c]pyridine (6) was 4-5 times more potent than 1 in inhibiting PAF-induced bronchoconstriction and hemoconcentration when administered po to the guinea pig.

  DOI：

  10.1021/jm00073a008
• 作为产物：
  描述：

  邻甲基苯腈 、 alkaline earth salt of/the/ methylsulfuric acid 在 正丁基锂 、 四甲基乙二胺 、 对甲苯磺酸 作用下， 以 乙二醇 为溶剂， 反应 71.0h， 生成 2-methyl-5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
  参考文献：
  名称：

  Structural modification of 5-aryl-2,3-dihydroimidazo[2,1-a]isoquinoline platelet activating factor receptor antagonists

  摘要：

  In an effort to determine the effect of modification of the imidazo[2,1-a]isoquinoline portion of the PAF-receptor antagonist SDZ 64-412 (1), several new analogs were prepared and evaluated in vitro and in vivo. One of these, 5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[1,2-a]thieno[2,3-c]pyridine (6) was 4-5 times more potent than 1 in inhibiting PAF-induced bronchoconstriction and hemoconcentration when administered po to the guinea pig.

  DOI：

  10.1021/jm00073a008