Synthesis of 1,5-disubstituted tetrazoles by the cyclization of sodium azide with N(N),N'-di(tri)substituted carbamimidothioate is reported. Tetrazoles are obtained in good to excellent yield in the absence of a catalyst. All the compounds were characterized by NMR and HRMS analysis. Single crystal X-ray diffraction data of 1-(4-chlorophenyl)-4-(5-phenyl- 1H-tetrazol-1-yl)piperazine 5g is also provided. Further, these disubstituted tetrazoles were tested against the proliferation of human breast cancer cells (MCF-7), which identified 5e as a lead compound. Finally, we have shown in silico that these compounds may interact with the ligand binding domain of estrogen receptor α (ERα), that expresses at high amount in MCF-7 cells.

据报道，通过叠氮化钠与N（N），N′-二（三）取代的氨基甲酰胺基硫代酸酯的环化反应合成1，5-二取代的四唑。在不存在催化剂的情况下，以良好或优异的产率获得四唑。通过NMR和HRMS分析对所有化合物进行表征。还提供了1-（4-氯苯基）-4-（5-苯基-1H-四唑-1-基）哌嗪5g的单晶X射线衍射数据。此外，测试了这些二取代的四唑类抗人类乳腺癌细胞（MCF-7）的增殖，后者确定5e为先导化合物。最后，我们在计算机上显示了这些化合物可能与雌激素受体α（ERα）的配体结合域相互作用，后者在MCF-7细胞中大量表达。