(+/-)-4-6-bis[3-(4,5-dihydro-4-methyl-1H-imidazol-2-yl)phenyl]-2-dimethylamino-1,3,5-triazine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (+/-)-4-6-bis[3-(4,5-dihydro-4-methyl-1H-imidazol-2-yl)phenyl]-2-dimethylamino-1,3,5-triazine
• 英文别名: N,N-dimethyl-4,6-bis[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine
• 化学式: C₂₅H₂₈N₈
• 分子量: 440.551
• InChiKey: LSOOPBQGBGIZBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  90.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,2-丙二胺 、 4,6-bis(3-cyanophenyl)-2-dimethylamino-1,3,5-triazine 在 硫化氢 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 (+/-)-4-6-bis[3-(4,5-dihydro-4-methyl-1H-imidazol-2-yl)phenyl]-2-dimethylamino-1,3,5-triazine
  参考文献：
  名称：

  A Convenient Way to Methylated 2-Imidazolines. Syntheses of Fluorene and Triazine Cyclic Diamidines

  摘要：

  One N-methyl- and 4-substituted 2-imidazolines are described. Fluorene bisimidazolines were obtained in good yield (64-92%), starting from 2,7-dicyanofluorene and ammonium sulfide. In a two-step procedure the crude bisthioamide was reacted with excess diaminoalkane-ethanol (1:1 mixture) in an oil bath. This new procedure is superior over standard methods. For the sake of comparison, a new triazine bisimidazoline was prepared by direct conversion of the appropriate bisnitrile. Preliminary in vitro studies have shown an interesting anticancer activity of this compound (NSC 710607) against diverse human cancer types, including colon, CNS, melanoma, breast, non-small cell lung, and ovarian.

  DOI：

  10.1007/s00706-006-0516-y

文献信息

• A Convenient Way to Methylated 2-Imidazolines. Syntheses of Fluorene and Triazine Cyclic Diamidines
  作者：Jaroslaw Spychala

  DOI：10.1007/s00706-006-0516-y

  日期：2006.9

  One N-methyl- and 4-substituted 2-imidazolines are described. Fluorene bisimidazolines were obtained in good yield (64-92%), starting from 2,7-dicyanofluorene and ammonium sulfide. In a two-step procedure the crude bisthioamide was reacted with excess diaminoalkane-ethanol (1:1 mixture) in an oil bath. This new procedure is superior over standard methods. For the sake of comparison, a new triazine bisimidazoline was prepared by direct conversion of the appropriate bisnitrile. Preliminary in vitro studies have shown an interesting anticancer activity of this compound (NSC 710607) against diverse human cancer types, including colon, CNS, melanoma, breast, non-small cell lung, and ovarian.