Synthesis and Cytotoxic Activity of 1,3-Selenazole-2-Amine Derivatives With Computational ADMET Profiling
ChemistryOpen, cilt.15, sa.10, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 15 Sayı: 10
- Basım Tarihi: 2026
- Doi Numarası: 10.1002/open.70314
- Dergi Adı: ChemistryOpen
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Compendex, EMBASE, MEDLINE, Directory of Open Access Journals, Academic Search Ultimate (EBSCO), Materials Science & Engineering Collection (ProQuest), Technology Collection (ProQuest)
- Anahtar Kelimeler: 1,3-selenazole, antitumor agents, cytotoxicity, Hantzsch-type cyclization, selenium
- Süleyman Demirel Üniversitesi Adresli: Evet
Özet
A set of newly developed 1,3-selenazole-2-amine derivatives (1–4) was prepared via a modified Hantzsch-type cyclization of appropriately substituted α-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 4 showed cytotoxic activity with IC50 value of 171.10 µM, while no appreciable activity was observed against HT-29 cells (IC50 > 300 µM). Selectivity analysis demonstrated that compound 3 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.