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

Braun, Julie;Boittiaux, Irving;Tilborg, Anaëlle;Lambert, Didier;Wouters, Johan
(2010) Acta crystallographica. Section E, Structure reports online — Vol. E66, n° Part 12, p. o3175-o3176 (2010)

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Authors
  • Braun, JulieUnamur
    Author
  • Boittiaux, IrvingUnamur
    Author
  • Tilborg, AnaëlleUnamur
    Author
  • Author
  • Wouters, JohanUnamur
    Author
Abstract
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, C12H24N+·C19H13N2O4-·C3H7NO·H2O. 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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Citations

Braun, J., Boittiaux, I., Tilborg, A., Lambert, D., & Wouters, J. (2010). The dicyclohexylamine salt of RG108 (N-phthalyl-L-tryptophan), a potential epigenetic modulator. Acta crystallographica. Section E, Structure reports online, E66(Part 12), o3175-o3176. https://doi.org/10.1107/S160053681004626X (Original work published 2010)