NMR study of 5-substituted pyrazolo[3,4-c]pyridine derivatives

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Authors	TSIKOURIS Orestis BARTL Tomáš TOUŠEK Jaromír LOUGIAKIS Nikolaos TITE Tony MARAKOS Panagiotis POULI Nicole MIKROS Emmanuel MAREK Radek
Year of publication	2008
Type	Article in Periodical
Magazine / Source	Magnetic Resonance in Chemistry
MU Faculty or unit	Faculty of Science
Citation
Web	DOI: 10.1002/mrc.2226
Doi	http://dx.doi.org/10.1002/mrc.2226
Field	Physical chemistry and theoretical chemistry
Keywords	NMR; 1H; 13C; 15N; tautomerism; spin-spin coupling constant; purine; pyrazolo[3.4-c]pyridine; quantum-chemical calculation
Attached files	MRC08_46_643.pdf
Description	Substituted pyrazolopyridines are potent inhibitors of phosphodiesterases and cyclin-dependent kinases. In this study, NMR was used to investigate the potential N1-H and N2-H tautomerism of 5-substituted pyrazolo[3,4-c]pyridine derivatives. Six compounds were fully characterized by using 1H, 13C, and 15N chemical shifts and indirect 1H-13C and 1H-15N coupling constants. The 1H NMR spectra were measured over a broad range of temperatures. All of the compounds were shown to exist predominantly in the N1-H tautomeric form. Complementary quantum-chemical calculations of the chemical shieldings and indirect spin-spin couplings support the structural conclusions drawn.
Related projects:	Proteins in metabolism and interaction of organisms with the environment Biomolecular centre