CAS 1134188-34-3

Ethyl 4,7-dihydro-3-methyl-4-oxoisothiazolo[5,4-b]pyridine-5-carboxylate

Description:

Ethyl 4,7-dihydro-3-methyl-4-oxoisothiazolo[5,4-b]pyridine-5-carboxylate is a heterocyclic compound characterized by its unique isothiazole and pyridine ring structures. This compound features a carboxylate ester functional group, which contributes to its reactivity and solubility properties. The presence of the 4-oxoisothiazole moiety indicates potential biological activity, as many compounds containing isothiazole derivatives exhibit antimicrobial, antifungal, or anticancer properties. The ethyl ester group enhances its lipophilicity, potentially influencing its pharmacokinetic profile. Additionally, the methyl group at the 3-position of the isothiazole ring may affect the compound's steric and electronic properties, impacting its interactions with biological targets. Overall, this compound's structural features suggest it may be of interest in medicinal chemistry and drug development, although specific biological activities and applications would require further investigation and characterization.

Formula: C₁₀H₁₀N₂O₃S

InChI: InChI=1S/C10H10N2O3S/c1-3-15-10(14)6-4-11-9-7(8(6)13)5(2)12-16-9/h4H,3H2,1-2H3,(H,11,13)

InChI key: InChIKey=ZZUAMFGXDNXAPR-UHFFFAOYSA-N

SMILES: O=C1C2=C(NC=C1C(OCC)=O)SN=C2C

Synonyms:

• 3-Methyl-4-oxo-4,7-dihydroisothiazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester
• Ethyl 4,7-dihydro-3-methyl-4-oxoisothiazolo[5,4-b]pyridine-5-carboxylate
• Isothiazolo[5,4-b]pyridine-5-carboxylic acid, 4,7-dihydro-3-methyl-4-oxo-, ethyl ester