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Conformational exchange in pimonidazole—a hypoxia marker
Author(s) -
Gabellieri Cristina,
Eykyn Thomas R.,
Leach Martin O.
Publication year - 2007
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.2024
Subject(s) - chemistry , nitroimidazole , nuclear magnetic resonance spectroscopy , molecule , two dimensional nuclear magnetic resonance spectroscopy , spectroscopy , aqueous solution , ring (chemistry) , stereochemistry , computational chemistry , organic chemistry , physics , quantum mechanics
Pimonidazole is one of a series of nitroimidazole compounds that is widely used as a marker for qualitative and quantitative assessment of tumour hypoxia. We have observed a novel dynamic conformational exchange process in this molecule in aqueous solution. By a combination of 1 H, 13 C, two‐dimensional 1 H– 1 H EXchange SpectroscopY (EXSY) and spectral simulation, we unambiguously attribute the conformational exchange process to flipping of the six‐membered heterocyclic ring. Copyright © 2007 John Wiley & Sons, Ltd.