Further Insights Into the Metabolism of LGD-4033 in Human Urine. Part 1. Structure Elucidation of Additional Important Metabolites.

ABSTRACT: This study presents LC-HRMS/MS analyses of LGD-4033 post-administration urine samples, following hydrolysis with β-glucuronidase and liquid-liquid extraction, against chemically synthesized molecules that matched previously proposed metabolites, characterized by ¹H and ¹³C NMR. Using this targeted metabolic investigation approach and the direct comparison of retention times and mass spectral data (high-resolution full scan mass accuracy and collision-induced fragmentation patterns), in accordance with WADA's TD2023IDCR provisions, resulted in unambiguous structural elucidation of additional LGD-4033 metabolites, including (a) the epi-long-term dihydroxylated metabolite (M5a); (b) the epi-pyrrolidinone metabolite (M2d); (c) the (R,R)-diastereoisomer of the ring-opened

SUBMITTER: Angelis YS 

PROVIDER: S-EPMC12861595 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature