The dicyclo­hexyl­amine salt of RG108 (N-phthalyl-l-tryptophan), a potential epigenetic modulator

The dicyclo­hexyl­amine salt of RG108 (N-phthalyl-l-tryptophan) co-crystallizes with a water mol­ecule and a disordered mol­ecule of dimethyl­formamide (DMF), viz. dicyclo­hexyl­aminium (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)propanoate dimethyl­formamide solvate monohydrate, C(12)H(24)N(+...

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Detalles Bibliográficos
Autores principales: Braun, Julie, Boittiaux, Irving, Tilborg, Anaelle, Lambert, Didier, Wouters, Johan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011641/
https://www.ncbi.nlm.nih.gov/pubmed/21589471
http://dx.doi.org/10.1107/S160053681004626X
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author Braun, Julie
Boittiaux, Irving
Tilborg, Anaelle
Lambert, Didier
Wouters, Johan
author_facet Braun, Julie
Boittiaux, Irving
Tilborg, Anaelle
Lambert, Didier
Wouters, Johan
author_sort Braun, Julie
collection PubMed
description The dicyclo­hexyl­amine salt of RG108 (N-phthalyl-l-tryptophan) co-crystallizes with a water mol­ecule and a disordered mol­ecule of dimethyl­formamide (DMF), viz. dicyclo­hexyl­aminium (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)propanoate dimethyl­formamide solvate monohydrate, C(12)H(24)N(+)·C(19)H(13)N(2)O(4) (−)·C(3)H(7)NO·H(2)O. The conformation of the deprotonated compound is constrained by charge-assisted strong hydrogen bonds with the dicyclo­hexyl­aminium ion and a dense hydrogen-bond network involving co-crystallized solvent mol­ecules. The dihedral angle between the fused ring systems in the anion is 58.35 (4)°.
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spelling pubmed-30116412010-12-30 The dicyclo­hexyl­amine salt of RG108 (N-phthalyl-l-tryptophan), a potential epigenetic modulator Braun, Julie Boittiaux, Irving Tilborg, Anaelle Lambert, Didier Wouters, Johan Acta Crystallogr Sect E Struct Rep Online Organic Papers The dicyclo­hexyl­amine salt of RG108 (N-phthalyl-l-tryptophan) co-crystallizes with a water mol­ecule and a disordered mol­ecule of dimethyl­formamide (DMF), viz. dicyclo­hexyl­aminium (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)propanoate dimethyl­formamide solvate monohydrate, C(12)H(24)N(+)·C(19)H(13)N(2)O(4) (−)·C(3)H(7)NO·H(2)O. The conformation of the deprotonated compound is constrained by charge-assisted strong hydrogen bonds with the dicyclo­hexyl­aminium ion and a dense hydrogen-bond network involving co-crystallized solvent mol­ecules. The dihedral angle between the fused ring systems in the anion is 58.35 (4)°. International Union of Crystallography 2010-11-13 /pmc/articles/PMC3011641/ /pubmed/21589471 http://dx.doi.org/10.1107/S160053681004626X Text en © Braun et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Braun, Julie
Boittiaux, Irving
Tilborg, Anaelle
Lambert, Didier
Wouters, Johan
The dicyclo­hexyl­amine salt of RG108 (N-phthalyl-l-tryptophan), a potential epigenetic modulator
title The dicyclo­hexyl­amine salt of RG108 (N-phthalyl-l-tryptophan), a potential epigenetic modulator
title_full The dicyclo­hexyl­amine salt of RG108 (N-phthalyl-l-tryptophan), a potential epigenetic modulator
title_fullStr The dicyclo­hexyl­amine salt of RG108 (N-phthalyl-l-tryptophan), a potential epigenetic modulator
title_full_unstemmed The dicyclo­hexyl­amine salt of RG108 (N-phthalyl-l-tryptophan), a potential epigenetic modulator
title_short The dicyclo­hexyl­amine salt of RG108 (N-phthalyl-l-tryptophan), a potential epigenetic modulator
title_sort dicyclo­hexyl­amine salt of rg108 (n-phthalyl-l-tryptophan), a potential epigenetic modulator
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011641/
https://www.ncbi.nlm.nih.gov/pubmed/21589471
http://dx.doi.org/10.1107/S160053681004626X
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