Diazinane and aryl moieties with vinylamine linkers were synthesized to investigate the importance of their structural variations as potential anti-glioblastoma agents. Structural variations incorporated on to the diazinane moiety included oxa and thio derivatives, each with a variety of nitrogen-bound substituents. The size and shape of the aromatic moiety was varied, with the final variation introducing two carbonyl groups, yielding a substituted anthraquinone. Readily available diazinanes and aryl amines were used as an advantageous foundation. Several parameters were calculated whilst engineering these compounds, including: C log P, molecular polarizability, polar surface area, minimal molecular projected area, and pK_a. In addition, a simple and efficient procedure was developed to synthesize these compounds. It was demonstrated that a vinylamine with 1,3-diazinane-2,4,6-trione and 1-anthraquinone moiety is the most promising drug candidate causing almost 70% of LN229 tumor cell death at 1 µg/ml. In addition, its molecular polarizability, polar surface area and minimal molecular projected area indicate a possible potential of this molecule for crossing BBB.

合成了具有乙烯基胺连接基的二氮杂烷和芳基部分，以研究其结构变异作为潜在抗成胶质细胞瘤药物的重要性。并入二嗪烷部分的结构变化包括氧杂和硫代衍生物，它们各自具有各种氮键合的取代基。芳族部分的大小和形状是变化的，最后的变化是引入两个羰基，产生取代的蒽醌。现成的重氮嗪和芳基胺被用作有利的粉底。工程化这些化合物时，计算了几个参数，包括：C log P，分子极化率，极性表面积，最小分子投影面积和pK _a。此外，开发了一种简单有效的方法来合成这些化合物。已证明具有1,3-二氮杂-2、4,6-三酮和1-蒽醌部分的乙烯基胺是最有前途的候选药物，以1 ​​µg / ml的剂量引起几乎70％的LN229肿瘤细胞死亡。另外，它的分子极化率，极性表面积和最小的分子投影面积表明该分子有可能穿越血脑屏障。