Chemistry Department, Faculty of Science, Taif University, Taif 21974, Saudi Arabia.
Department of Basic Science, Faculty of Industrial Education, Helwan University, Cairo 11795, Egypt.
Molecules. 2018 Mar 19;23(3):693. doi: 10.3390/molecules23030693.
Our current goal is the synthesis of polyheterocyclic compounds starting from 3-amino-[1,2,4]triazino[5,6-]indole and studying their anticancer activity to determine whether increasing of the size of the molecules increases the anticancer activity or not. 1-Amino[1,2,4]triazino[3',4':3,4]-[1,2,4]triazino[5,6-]indole-2-carbonitrile () was prepared by the diazotization of 3-amino[1,2,4]-triazino[5,6-]indole followed by coupling with malononitrile in basic medium then cyclization under reflux to get . Also, new fused pyrimido[4″,5″:5',6'][1,2,4]triazino-[3',4':3,4][1,2,4]triazino[5,6-]indole derivative was prepared and used to obtain polycyclic heterocyclic systems. Confirmation of the synthesized compounds' structures was carried out using elemental analyses and spectral data (IR, ¹H-NMR and C-NMR and mass spectra). The anticancer activity of some of the synthesized compounds was tested against HepG2, HCT-116 and MCF-7 cell lines. The anticancer screening results showed that some derivatives display good activity which was more potent than that of the reference drug used. Molecular docking was used to predict the binding between some of the synthesized compounds and the prostate cancer 2q7k hormone and breast cancer 3hb5 receptors.
我们目前的目标是从 3-氨基-[1,2,4]三嗪并[5,6-]吲哚出发合成多杂环化合物，并研究它们的抗癌活性，以确定分子尺寸的增加是否会提高抗癌活性。1-氨基-[1,2,4]三嗪并[3',4':3,4]-[1,2,4]三嗪并[5,6-]吲哚-2-甲腈（）是通过 3-氨基-[1,2,4]-三嗪并[5,6-]吲哚的重氮化反应，然后与丙二腈在碱性介质中偶联，再在回流下环化得到的。此外，还制备了新的融合嘧啶并[4″,5″:5',6'][1,2,4]三嗪并-[3',4':3,4][1,2,4]三嗪并[5,6-]吲哚衍生物，用于获得多环杂环体系。通过元素分析和光谱数据（IR、¹H-NMR 和 C-NMR 以及质谱）对合成化合物的结构进行了确认。对一些合成化合物的抗癌活性进行了测试，针对 HepG2、HCT-116 和 MCF-7 细胞系。抗癌筛选结果表明，一些衍生物表现出良好的活性，比使用的参考药物更有效。分子对接用于预测一些合成化合物与前列腺癌 2q7k 激素和乳腺癌 3hb5 受体之间的结合。
