Acta Crystallographica Section E: Crystallographic Communications (Nov 2021)

Crystal structures of two alanylpiperidine analogues

  • Kalina Mambourg,
  • Nikolay Tumanov,
  • Gilles Henon,
  • Steve Lanners,
  • Javier Garcia-Ladona,
  • Johan Wouters

DOI
https://doi.org/10.1107/S2056989021010392
Journal volume & issue
Vol. 77, no. 11
pp. 1095 – 1098

Abstract

Read online

The structure of ethyl 1-[N-(4-methylphenyl)-N-(methylsulfonyl)alanyl]piperidine-4-carboxylate, C19H28N2O5S, I, a compound of interest as activator of Ubiquitin C-terminal Hydrolase-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-methylphenyl)-N-(methylsulfonyl)alanyl]piperidine-4-carboxylic 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 carboxylic group, which favors a strong hydrogen bond. A polymorph risk assessment was carried out to study interactions in compound II.

Keywords