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Crystal structures of two alanyl-piperidine analogues.

Kalina MambourgNikolay A TumanovGilles HenonSteve LannersJavier Garcia-LadonaJohan Wouters
Published in: Acta crystallographica. Section E, Crystallographic communications (2021)
The structure of ethyl 1-[N-(4-methyl-phen-yl)-N-(methyl-sulfon-yl)alan-yl]piperidine-4-carboxyl-ate, C19H28N2O5S, I, a compound of inter-est as activator of Ubiquitin C-terminal Hydro-lase-L1 (UCH-L1), was determined by single-crystal X-ray diffraction (SCXRD) analysis. In order to find new activators, a derivative of compound I, namely, 1-[N-(4-methyl-phen-yl)-N-(methyl-sulfon-yl)alan-yl]piperidine-4-carb-oxy-lic acid, C17H24N2O5S, II, was studied. The synthesis and crystal structure are also reported. Despite being analogues, different crystal packings are observed. Compound II bears a carb-oxy-lic group, which favors a strong hydrogen bond. A polymorph risk assessment was carried out to study inter-actions in compound II.
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