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Identification of in vivo metabolites of a potential anti-rheumatoid arthritis compound, the quinazolinone derivative PD110, using ultra-high performance liquid chromatography coupled with Q-Exactive plus mass spectrometrys

Abstract The objective of this study was to identify metabolites of PD110 by UHPLC-Q-Exactive Plus MS and determine its metabolic pathways in vivo. Mouse urine, faeces, and plasma samples were collected after an intraperitoneal administration of PD110 at a single dose of 30 mg·kg−1. The metabolites were detected and identified by UHPLC-Q-Exactive Plus MS and Compound DiscovererTM 2.0 software. In total, 44 metabolites (including 31 phase-I and 13 phase-II metabolites) were preliminarily identified according to the mass accuracy (<5 ppm) and comparison of their mass spectrometry profiles. Oxidation, glucuronide conjugation, and glucoside conjugation were the main metabolic pathways of PD110 in mice.This research first focussed on the biotransformation of PD110 in mice, and its metabolites may provide pivotal information for further pharmacological and clinical studies.