Naslov
Conformation and self-assembling of purine and pseudopurine derivatives containing triazole ring

Autori
Cetina, Mario ; Bistrović, Andrea ; Raić Malić, Silvana

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
The Twenty-ninth Slovenian-Croatian Crystallographic Meeting / Pevec, Andrej ; Počkaj, Marta - Ljubljana : Fakulteta za kemijo in kemijsko tehnologijo Univerze v Ljubljani, 2023, 69-69

Skup
The Twenty-ninth Slovenian-Croatian Crystallographic Meeting

Mjesto i datum
Topolšica, Slovenija, 14.06.2023. - 18.06.2023

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
purine and purine-like derivatives ; triazoles ; X-ray analysis ; conformation ; self-assembling

Sažetak
Mitogen-activated protein kinases (MAPKs) are a family of kinases of different lineages that participate in intracellular signalling during proliferation, differentiation, cellular stress responses and apoptosis (1, 2). In search of MAPK pathway inhibitors, purine and purine-like scaffolds have been recognised as an important constituent of small molecules that act as highly potent MAPK inhibitors. Synthesis and biological activity of N-alkylated purine and pseudopurine derivatives with 1, 4-disubstituted 1, 2, 3-triazole unit were described previously (3). Herein we reports X-ray crystal structures of two of them, 6-chloro-9-{;[1-(4-(trifluoromethyl)phenyl)-1H-1, 2, 3-triazol-4-yl]methyl};-9H-purine (1) and 4-chloro-1-{;[1–(2-fluorophenyl)-1H-1, 2, 3-triazol-4-yl]methyl};-1H-imidazo[4, 5-c]pyridine (2), Fig. 1. Structural analysis shows that conformation of 1 and 2 differ slightly, and that their self-assembling is governed by C-H...N hydrogen bonds and Pi...Pi interactions. References: [1] Binétruy, B., Heasley, L., Bost, F., Caron, L. & Aouadi M. (2007). Stem Cells. 25, 1090–1095. [2] Huang, C., Jacobson, K. & Schaller, M.D. (2004). J. Cell Sci. 117, 4619–4628. [3] Bistrović, A., Grbčić, P., Harej, A., Sedić, M., Kraljević-Pavelić, S., Koštrun, S., Plavec, J., Makuc, D. & Raić-Malić, S. (2018). J. Enzym. Inhib. Med. Chem. 33, 271-285.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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