N-(3-Cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Autor:	Serhii Holota, Ihor Yushyn, Dmytro Khyluk, Renata Vynnytska, Roman Lesyk
Jazyk:	angličtina
Rok vydání:	2021
Předmět:	antipyrine 1 3 4-thiadiazole hybrid molecules NSAIDs molecular docking COX-2 Inorganic chemistry QD146-197
Zdroj:	Molbank, Vol 2021, Iss 2, p M1211 (2021)
Druh dokumentu:	article
ISSN:	1422-8599
DOI:	10.3390/M1211
Popis:	The small pyrazolone-bearing molecules attract attention and are widely explored in drug design as pharmacological agents. The new pyrazolone-thiadiazole hybrid molecule N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (3) has been synthesized following a two-stage protocol using simple, convenient transformations and cheap, commercially available reagents. The compound’s structure was confirmed using 1H, 13C nuclear magnetic resonance (NMR), and liquid chromatography–mass spectrometry (LC–MS) spectra. The anti-inflammatory potency of 3 was evaluated in silico using molecular docking. The docking studies results suggest that title compound 3 is of great interest for further structure optimization and in-depth studies as a possible 5-lipoxygenase (5-LOX) inhibitor.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/77944ec4215a4265811d25cab9b7fcea Zobrazit plný text záznamu View record in DOAJ Plný text ve formátu PDF Plný text ve formátu HTML
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