Synthesis and properties of 1,1′-(alkane-1,n-diyl)bis[3-(3,5,7-trifluoroadamantan-1-yl)ureas].

Autor:	Gladkikh, B. P., Danilov, D. V., D'yachenko, V. S., Il'ina, E. S., Kurunina, G. M., Butov, G. M., Novakov, I. A.
Předmět:	EPOXIDE hydrolase MELTING points ADAMANTANE derivatives MOLECULAR docking ENZYME inhibitors LIPOPHILICITY
Zdroj:	Russian Chemical Bulletin; Oct2024, Vol. 73 Issue 10, p2941-2947, 7p
Abstrakt:	New 1,1′-(alkane-1,n-diyl)bis[3-(3,5,7-trifluoroadamantan-1-yl)ureas] were obtained by the reaction of 1,3,5-trifluoroadamantane-7-isocyanate with aliphatic diamines in 71–92% yields. For the first time, the influence of the number of fluorine atoms in the adamantyl substituent on the melting point, lipophilicity, and water solubility of the ureas was established, which allows one to purposefully regulate the important properties of ureas as potential enzyme inhibitors. Using molecular docking, their possible efficiency in the inhibition of such targets as p38 MAPK, c-Raf, and hsEH was shown. [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
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