2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol | 1148049-45-9

• 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-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
• CAS: 1148049-45-9
• 化学式: C₂₀H₂₉NO₂
• 分子量: 315.456
• InChiKey: NEKPIHUOELMWFO-OVCLIPMQSA-N

物化性质

• 沸点：
  469.6±45.0 °C(predicted)
• 密度：
  1.049±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  香叶基溴 、 1,2,3,4-四氢-1-甲基-6,7-异喹啉二醇 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以12.6%的产率得到(+/-)-N,N-digeranylsalsolinol trifluoroacetate
  参考文献：
  名称：

  Geranyl Derivatives of Salsolinol Show Increased Biological Activities

  摘要：

  Salsolinol and its N- and N,N-geranylated derivatives were tested for antimicrobial, cytotoxic, anti-oxidant, and anti-HIV activities, as well as inhibitory activity against Epstein-Barr virus early antigen (EBV-EA) activation induced by 12-0-tetradecanoylphorbol-13-acetate (TPA) in Raji cells. N,N-Geranylation increased potency in three different assays, antimicrobial, cytotoxic, and EBV-EA, while N-geranylation increased potency to a lesser extent in these same assays. N,N-Geranylated salsolinol was significantly active in all assays, except anti-HIV, and may be useful as a lead compound for developing potential chemotherapeutic agents.

  DOI：

  10.3987/com-08-s(f)64