Atropisomeric Racemization Kinetics of MRTX1719 Using Chiral Solvating Agent-Assisted ¹⁹F NMR Spectroscopy.

ABSTRACT: With renewed interest in atropisomerism of drug molecules, efficient methods to experimentally determine torsion rotational energy barriers are needed. Here, we describe use of the chiral phosphoric acid solvating agent (+)-TiPSY to resolve the signals of atropisomers in ¹⁹F NMR and to use the data to study the kinetics of racemization and determine the rotational energy barrier of clinical compound MRTX1719. This method is complimentary to traditional chiral high-performance liquid chromatography (HPLC) and enhances the toolkit for chiral analysis techniques.

SUBMITTER: Kulyk S 

PROVIDER: S-EPMC9476184 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature