化学
砜
吲哚试验
甲烷氧化偶联
氧化磷酸化
试剂
偶联反应
组合化学
立体化学
有机化学
生物化学
催化作用
作者
Anjela Xalxo,Ujjwal Jyoti Goswami,Shilpi Sarkar,Thirukumaran Kandasamy,Kriti Mehta,Siddhartha Sankar Ghosh,Prasad V. Bharatam,Abu T. Khan
标识
DOI:10.1016/j.bioorg.2023.106900
摘要
The synthesis of hitherto unreported 3-sulfenylindole derivatives is achieved from 4-hydroxy-2H-chromene-2-thione (1) and indole (2) by employing an oxidative cross-dehydrogenative coupling reaction using a combination of 10 mol% of molecular iodine and 1 equivalent of TBHP in DMSO at room temperature. Then, the 3-sulfenylindole derivatives 3a, 3b, 3d, 3f, 3h, and 3k were converted into their corresponding sulfone derivatives because of lead likeness properties. Subsequently, a target prediction and docking study of six sulfone derivatives (5a-f) was performed, and four sulfones, namely 5a, 5d, 5e, and 5f, were selected for further in-vitro studies. The four sulfones mentioned aboveexhibitedprominent anti-proliferative activity on breast cancer (MCF7) cell lines. In addition, this reaction was exergonic through quantum chemical analysis of the mechanistic steps. The salient features of this reaction are mild reaction conditions, good yields, and broad substrate scope.
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