An efficient one-pot, three-component synthesis of novel [1,2,4]triazolo [4′,3′:1,5][1,2,4]triazolo[3,4-b][1,3,4]thiadiazine derivatives and their molecular docking studies,Journal of Heterocyclic Chemistry

当前位置： X-MOL 学术 › J. Heterocycl. Chem. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

An efficient one-pot, three-component synthesis of novel [1,2,4]triazolo [4′,3′:1,5][1,2,4]triazolo[3,4-b][1,3,4]thiadiazine derivatives and their molecular docking studies
Journal of Heterocyclic Chemistry ( IF 2.0 ) Pub Date : 2024-07-30 , DOI: 10.1002/jhet.4873
Parameshwara Chary Jilloju ₁ , Perugu Shyam ₂ , Seema Aravind ₃ , Rajeswar Rao Vedula ₁

Affiliation

A series of novel [1,2,4]triazolo[4′,3′:1,5][1,2,4]triazolo[3,4-b][1,3,4]thiadiazines (4a-p) were synthesized from the reaction of 4-amino-5-hydrazinyl-4H-1,2,4-triazole-3-thiol (1) with different bromoethanones (2a-p) and substituted benzoic acids (3) via a one-pot, three-component reaction with good to excellent yields. The new fused tri-cyclic system was achieved without using a catalyst and metal by cyclo-condensation reaction through a one-pot approach. The structures of newly synthesized molecules were confirmed by using IR, ¹H-NMR, ¹³C-NMR, Mass spectral, and analytical data. Molecular docking studies were carried out for the newly synthesized compounds against human cancer receptors (2TKB) with good results.

中文翻译：

新型 [1,2,4] 三唑并 [4′，3′：1,5][1,2,4]三唑并[3,4-b][1,3,4]噻二嗪衍生物的高效一锅三组分合成及其分子对接研究

以 4-氨基-5-肼基-4H-1,2,4-三唑-3-硫醇（1）与不同的溴乙酮（2a-p）和取代的苯甲酸（3）反应为原料，通过一锅三组分反应合成了一系列新型 [1,2,4] 三唑并[4′，3′：1,5][1,2,4] 三唑并[3,4-b][1,3,4]噻二嗪（4a-p），收率极佳。新的熔融三环系统是在不使用催化剂和金属的情况下通过一锅法通过环缩合反应实现的。通过使用 IR、¹H-NMR、¹³C-NMR、质谱和分析数据确认新合成分子的结构。对新合成的针对人类癌症受体（2TKB）的化合物进行了分子对接研究，并取得了良好的结果。

更新日期：2024-07-30

点击分享查看原文

点击收藏

阅读更多本刊新发论文本刊介绍/投稿指南