Synthesis and Cytotoxic Activity of 1,3‐Selenazole‐2‐Amine Derivatives With Computational ADMET Profiling
- 1Faculty of Pharmacy Department of Basic Pharmaceutical Sciences Zonguldak Bulent Ecevit University Zonguldak Türkiye
- 2Faculty of Pharmacy Department of Basic Pharmaceutical Sciences Suleyman Demirel University Isparta Türkiye
- 3Faculty of Engineering and Natural Sciences Bahçeşehir University Istanbul Türkiye
Abstract
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 IC ₅₀ value of 171.10 µM, while no appreciable activity was observed against HT‐29 cells (IC ₅₀ > 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.
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BibTeX
@article{dilek2026synthesis,
title = {{Synthesis and Cytotoxic Activity of 1,3‐Selenazole‐2‐Amine Derivatives With Computational ADMET Profiling}},
author = {Gulay Dilek and Senem Akkoc},
journal = {ChemistryOpen},
year = {2026},
month = oct,
doi = {10.1002/open.70314},
url = {https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/open.70314},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Synthesis and Cytotoxic Activity of 1,3‐Selenazole‐2‐Amine Derivatives With Computational ADMET Profiling
AU - Gulay Dilek
AU - Senem Akkoc
PY - 2026
DA - 2026/10/01
JO - ChemistryOpen
DO - 10.1002/open.70314
UR - https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/open.70314
AB - 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 IC ₅₀ value of 171.10 µM, while no appreciable activity was observed against HT‐29 cells (IC ₅₀ > 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.
SN - 2191-1363
SN - 2191-1363
ER -