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Crystal structures of two alanyl-piperidine analogues.

ABSTRACT: 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.

SUBMITTER: Mambourg K

PROVIDER: S-EPMC8587977 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature

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Crystal structures of two alanyl-piperidine analogues.

Mambourg Kalina K Tumanov Nikolay N Henon Gilles G Lanners Steve S Garcia-Ladona Javier J Wouters Johan J

Acta crystallographica. Section E, Crystallographic communications 20211013 Pt 11

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 ...[more]

PMID: 34868643

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Crystal structures of two alanyl-piperidine analogues.

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Crystal structures of two alanyl-piperidine analogues.

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