Abstract
Atropisomers exist when axial chirality is present as a result of
conformationally restricted rotation around a single bond. The interconversion rate
of the individual atropisomers is critical to the assessment of chiral stability of
a drug throughout scale-up, development, production, and storage as well as in vivo
pharmacokinetics. We describe the application of vibrational circular dichroism
spectroscopy coupled with quantum mechanics simulations to assign the absolute axial
chirality and measure the racemization half-life of a series of potential anxiolytic
drugs that act as γ-aminobutyric acid modulators.
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