CAS 847783-63-5

1,5-Dihydro-3-(4-methylphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanoic acid

Description:

1,5-Dihydro-3-(4-methylphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanoic acid, with the CAS number 847783-63-5, is a chemical compound that belongs to the class of triazole derivatives. This substance features a thioxo group, which contributes to its reactivity and potential biological activity. The presence of the 4-methylphenyl group indicates that it may exhibit hydrophobic characteristics, influencing its solubility and interaction with biological membranes. The propanoic acid moiety suggests that it may possess acidic properties, which can affect its behavior in various chemical environments. This compound may be of interest in pharmaceutical research due to its structural features, which could be linked to specific biological activities, such as antimicrobial or antifungal properties. Additionally, the triazole ring is known for its role in various medicinal applications, making this compound a candidate for further investigation in drug development. Overall, its unique structure and functional groups may provide insights into its potential applications in medicinal chemistry and related fields.

Formula: C₁₂H₁₃N₃O₂S

InChI: InChI=1S/C12H13N3O2S/c1-8-2-4-9(5-3-8)11-13-14-12(18)15(11)7-6-10(16)17/h2-5H,6-7H2,1H3,(H,14,18)(H,16,17)

InChI key: InChIKey=KPNUXYXNDBKZQB-UHFFFAOYSA-N

SMILES: C(CC(O)=O)N1C(=NNC1=S)C2=CC=C(C)C=C2

Synonyms:

• 1,5-Dihydro-3-(4-methylphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanoic acid
• 4H-1,2,4-Triazole-4-propanoic acid, 1,5-dihydro-3-(4-methylphenyl)-5-thioxo-

3-[3-(4-Methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]propanoic acid

Controlled Product

CAS: 847783-63-5

3-[3-(4-Methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]propanoic acid is a potent inhibitor of the transient receptor potential vanilloid 1 (TRPV1) ion channel. TRPV1 is a membrane protein activated by noxious heat or capsaicin and mediates responses to these stimuli. It also plays a role in inflammation and pain sensation. 3-[3-(4-Methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]propanoic acid blocks TRPV1 channels by binding to its intracellular region and thereby preventing activation. This agent can be used as a research tool for studying TRPV1 channels in vitro and in vivo.

Formula: C₁₂H₁₃N₃O₂S

Purity: Min. 95%

Molecular weight: 263.32 g/mol

Ref: 3D-XIB78363