Advancements in Isotopic Labeling: H/D Exchange on N-Heterocycles and the Development of a 13CO2 Generator
Isotopically labeled compounds play a crucial role in material sciences, physical organic chemistry, and in pharmaceutical research, especially for the identification and quantification of metabolites during drug development. The most compelling approach for preparing isotopically labeled compounds is through direct isotope exchange, as it allows practitioners to perform the labelling without the need for pre-functionalization. X-Chem is the pioneer of DNA-encoded library (DEL) technology and a leader in small molecule drug discovery. We combine proven DEL and medicinal chemistry expertise with groundbreaking AI/ML solutions and expert custom synthesis. We bring the most modern and powerful synthetic methodologies to bear, including asymmetric catalysis, photoredox, and flow chemistry. Herein, we present our latest results in the fields of H/D exchange and 13C labeling.
H/D exchange. We present a continuous flow Raney nickel-catalyzed hydrogen isotope exchange process that boasts compatibility with a wide spectrum of nitrogen-containing heterocycles and pharmaceutical compounds.
13C labeling. We describe a practical and economical chemical generator for CO2 . When used with 13C-labeled Na2CO3 , the generator provides an alternative to expensive 13CO2 cylinders.
Poster presented at the EFMC-ACSMEDI MedChem Frontiers 2024 conference.
