Synthesis and Structural Characterization of 2-(3-(p-Tolyl)ureido)ethane-1-sulfonamide
Project no. 33380 · Status: Kapanmış · 2025
Summary
<p>Taurine is a biologically important molecule involved in maintaining cellular homeostasis and can influence cancer-related processes such as apoptosis, cell proliferation, metabolic reprogramming, angiogenesis, and metastasis. The urea functional group is widely used in drug design because of its hydrogen-bonding capacity and its contribution to the development of favorable pharmacokinetic properties.</p><p>In this study, 2-(3-(p-tolyl)ureido)ethane-1-sulfonamide, which was considered to have potential biological activity, was synthesized. The structure of the synthesized compound was elucidated using ¹H NMR and IR spectroscopic methods.</p><p>For the <em>in silico</em> evaluation of the compound, SwissADME was used to determine its physicochemical properties, drug-likeness, pharmacokinetic profile, and suitability from a medicinal chemistry perspective; DataWarrior was used to predict its mutagenic, tumorigenic, and irritant potential; SwissTargetPrediction was used to identify its possible protein targets; and Way2Drug was used to predict its potential activity against different cancer cell lines.</p><p>The results obtained from this study will facilitate the development of a comprehensive future project involving various derivatives of the final product.</p>