Structural characterization, analysis of hindered rotation and cytotoxic activity of N2,N4,N6-triphenethyl-1,3,5-triazine-2,4,6-triamine.

Autor:	Barbosa, Igor Resendes, Del Cistia, Catarina De Nigris, Almeida, Vitor dos Santos, Felippe, William Queiroz, Guedes, Guilherme Pereira, Silva, Ana Paula Pereira da, Sant'Anna, Carlos Mauricio Rabello de, Echevarria, Aurea
Předmět:	ROTATIONAL motion NUCLEAR magnetic resonance DENSITY functional theory DOUBLE bonds INFRARED spectra
Zdroj:	Spectroscopy Letters; 2021, Vol. 54 Issue 8, p607-618, 12p
Abstrakt:	The 1H and 13C nuclear magnetic resonance spectra of N2,N4,N6-triphenethyl-1,3,5-triazine-2,4,6-triamine show features that suggest the hindered rotation about the carbon-nitrogen bond. A dynamic experiment was conducted at variable temperatures to determine the rotational barrier around this bond, which was also theoretically calculated and corroborated by density functional theory. X-ray diffraction analysis confirmed the compound structure and revealed the carbon-nitrogen partial double bond character, responsible for the restricted rotation. The infrared spectrum showed the characteristic bands, as expected. Finally, the cytotoxicity of this compound was evaluated in vitro against a human hepatocellular carcinoma cell line and exhibited a good antiproliferative action. [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
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