Synthesis and Cytotoxic Activity of 1,3-Selenazole-2-Amine Derivatives With Computational ADMET Profiling
Gulay Dilek, Senem Akkoc
article (Uluslararası, Hakemli) | Yazar(lar): Gulay Dilek, Senem Akkoc | Yıl: 2026 | Dergi/Kurum: CHEMISTRYOPEN | İndeks: WOS.SCI | DOI: 10.1002/open.70314 | Anahtar Kelimeler: 1,3-selenazole, antitumor agents, cytotoxicity, Hantzsch-type cyclization, selenium — Özet: A set of newly developed 1,3-selenazole-2-amine der
A set of newly developed 1,3-selenazole-2-amine derivatives (<bold>1-4</bold>) was prepared via a modified Hantzsch-type cyclization of appropriately substituted alpha-bromoacetophenones with selenourea under reflux conditions. The synthesized compounds were tested for cytotoxic activity in HT-29 (colon cancer), MCF-7 (breast cancer), and L929 (mouse fibroblast) cell lines using the MTT assay. The compounds induced weak to moderate cytotoxicity in MCF-7 cells. Among them, compound <bold>4</bold> showed cytotoxic activity with IC50 value of 171.10 & micro;M, while no appreciable activity was observed against HT-29 cells (IC50 > 300 & micro;M). Selectivity analysis demonstrated that compound <bold>3</bold> exhibited low toxicity toward healthy cells. In silico ADMET analysis indicated promising pharmacokinetic and physicochemical properties, including high gastrointestinal absorption, moderate lipophilicity, and compliance with drug-likeness rules, while predicting limited blood-brain barrier permeability. The BOILED-Egg model further supported high intestinal absorption and peripheral activity.