Chemical Formula: C15H17N3O2S
Chemical Formula C15H17N3O2S
Found 11 metabolite its formula value is C15H17N3O2S
N-{[4-methoxy-5-(methylsulfanyl)-[2,2'-bipyridine]-6-yl]methyl}ethanimidate
Based on the SMILES structure CC(=O)NCC1=C(C(=CC(=N1)C2=CC=CC=N2)OC)SC, the compound likely contains a thiazole ring (due to sulfur and nitrogen in the 5-membered ring) fused with a pyridine ring (6-membered aromatic ring with nitrogen), along with an acetyl group and a methoxy substituent. Here’s a speculative analysis of its potential biological functions: Antimicrobial Activity The thiazole-pyridine core is structurally similar to certain antibiotics (e.g., sulfathiazole derivatives) and antifungal agents. Thiazoles are known to disrupt bacterial cell wall synthesis or inhibit enzymes like dihydrofolate reductase (DHFR), critical for microbial survival. Kinase or Enzyme Inhibition The pyridine-thiazole system resembles scaffolds in tyrosine kinase inhibitors (e.g., dasatinib analogs) used in cancer therapy. The acetyl group may enhance solubility or act as a prodrug moiety, while the methoxy group could modulate binding to hydrophobic enzyme pockets. Anti-inflammatory or Analgesic Effects Acetamide derivatives (e.g., paracetamol analogs) often exhibit pain-relieving properties. The sulfur atom might contribute to antioxidant activity, potentially mitigating oxidative stress in inflammatory pathways. Neuroactive Potential Pyridine-thiazole hybrids are explored in neurological disorders (e.g., acetylcholinesterase inhibitors for Alzheimer’s). The structure’s aromaticity and polar groups may facilitate blood-brain barrier penetration. Key Rationale: The compound’s hybrid heterocyclic system (thiazole + pyridine) and substituents (acetyl, methoxy) align with pharmacophores for targeting proteins, nucleic acids, or microbial enzymes. Experimental validation (e.g., enzyme assays, microbial screens) would be needed to confirm specific activities.
