Synthesis, physical properties, and computational biological activity of N-{[(3(4)-halophenyl)amino]carbonothioyl}adamantane-1-carboxamides

Thioureas containing halogen- and dihalogen-substituted phenyl fragments were obtained based on adamantan-1-ylcarbonyl isothiocyanate in up to 76–94% yields. The effect of the carbonyl group on the melting point, lipophilicity, and water solubility of the thioureas was established. A computational s...

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Veröffentlicht in:	Russian chemical bulletin 2023-11, Vol.72 (11), p.2698-2705
Hauptverfasser:	Kuznetsov, Ya. P., Ilyina, E. S., Butov, G. M., Novakov, I. A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Biological activity Biological computing Biological properties Carbonyl groups Carbonyls Chemistry Chemistry and Materials Science Chemistry/Food Science Full Articles Inorganic Chemistry Melting points Organic Chemistry Physical properties Thioureas
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Zusammenfassung:	Thioureas containing halogen- and dihalogen-substituted phenyl fragments were obtained based on adamantan-1-ylcarbonyl isothiocyanate in up to 76–94% yields. The effect of the carbonyl group on the melting point, lipophilicity, and water solubility of the thioureas was established. A computational screening of biological activity was carried out, which showed that 1-(adamantan-1-ylcarbonyl)-3-(aryl)thioureas can have antiviral activity and nootropic effect. Purinoceptors, along with epoxide hydrolase, were found to be the most likely targets.
ISSN:	1066-5285 1573-9171
DOI:	10.1007/s11172-023-4075-8