Abstract
<jats:p>The unexpected rearrangement reaction of 2-(γ-aminopropyl)benzoxazoles into 2-(a-pyrrolinylamino)phenols was revealed during an X-ray crystallography fragment screening against PptAb, one of the two phosphopantetheinyl transferases from Mycobacterium abscessus. Mechanistic and methodological studies were carried out and the structure of fragment samples from commercial suppliers was revised. This offered an access to a scarcely exemplified series. Its relevance for the design of PptAb inhibitors was confirmed by the co-crystallization of synthetic samples within the enzyme active site.</jats:p>
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Keywords
fragment
pptab
from
samples
unexpected