Crystal structures of two alanylpiperidine analogues

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 d...

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Autores principales:	Kalina Mambourg, Nikolay Tumanov, Gilles Henon, Steve Lanners, Javier Garcia-Ladona, Johan Wouters
Formato:	article
Lenguaje:	EN
Publicado:	International Union of Crystallography 2021
Materias:	crystal structure uch-l1 activator alanylpiperidine derivatives polymorph risk assessment Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/0ea03e3056834941998df296206b185e
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spelling	oai:doaj.org-article:0ea03e3056834941998df296206b185e2021-11-12T11:16:09ZCrystal structures of two alanylpiperidine analogues2056-989010.1107/S2056989021010392https://doaj.org/article/0ea03e3056834941998df296206b185e2021-11-01T00:00:00Zhttp://scripts.iucr.org/cgi-bin/paper?S2056989021010392https://doaj.org/toc/2056-9890The 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.Kalina MambourgNikolay TumanovGilles HenonSteve LannersJavier Garcia-LadonaJohan WoutersInternational Union of Crystallographyarticlecrystal structureuch-l1 activatoralanylpiperidine derivativespolymorph risk assessmentChemistryQD1-999ENActa Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 11, Pp 1095-1098 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	crystal structure uch-l1 activator alanylpiperidine derivatives polymorph risk assessment Chemistry QD1-999
spellingShingle	crystal structure uch-l1 activator alanylpiperidine derivatives polymorph risk assessment Chemistry QD1-999 Kalina Mambourg Nikolay Tumanov Gilles Henon Steve Lanners Javier Garcia-Ladona Johan Wouters Crystal structures of two alanylpiperidine analogues
description	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.
format	article
author	Kalina Mambourg Nikolay Tumanov Gilles Henon Steve Lanners Javier Garcia-Ladona Johan Wouters
author_facet	Kalina Mambourg Nikolay Tumanov Gilles Henon Steve Lanners Javier Garcia-Ladona Johan Wouters
author_sort	Kalina Mambourg
title	Crystal structures of two alanylpiperidine analogues
title_short	Crystal structures of two alanylpiperidine analogues
title_full	Crystal structures of two alanylpiperidine analogues
title_fullStr	Crystal structures of two alanylpiperidine analogues
title_full_unstemmed	Crystal structures of two alanylpiperidine analogues
title_sort	crystal structures of two alanylpiperidine analogues
publisher	International Union of Crystallography
publishDate	2021
url	https://doaj.org/article/0ea03e3056834941998df296206b185e
work_keys_str_mv	AT kalinamambourg crystalstructuresoftwoalanylpiperidineanalogues AT nikolaytumanov crystalstructuresoftwoalanylpiperidineanalogues AT gilleshenon crystalstructuresoftwoalanylpiperidineanalogues AT stevelanners crystalstructuresoftwoalanylpiperidineanalogues AT javiergarcialadona crystalstructuresoftwoalanylpiperidineanalogues AT johanwouters crystalstructuresoftwoalanylpiperidineanalogues
_version_	1718430600525774848

Crystal structures of two alanylpiperidine analogues

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