Micropreparative isolation and NMR structure elucidation of metabolites of the drug candidate 1-isopropyl-4-(4-isopropylphenyl)-6-(prop-2-yn-1-yloxy) quinazolin-2(1H)-one from rat bile and urine.

Joachim Blanz,Thierry Délémonté,David Pearson,Alexandre Luneau,Michael Ritzau,Werner Gertsch,Philippe Ramstein,Jérôme Dayer,Sandrine Desrayaud,Elisabeth Braun,Reiner Aichholz

Journal of Chromatography B（2015）

Cited 8|Views19

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Abstract

•We performed LC-MS-SPE-NMR analysis of drug metabolites from an in vivo study.•Seven metabolites of a drug candidate were isolated from bile and urine.•The structures of all seven metabolites were unambiguously determined.•Higher information content was obtained than from conventional LC-MS analysis.

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Key words

Biotransformation,Drug metabolism,Metabolite identification,Micropreparative isolation,HPLC-MS-SPE-NMR

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