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

Julie Braun; Irving Boittiaux; Anaelle Tilborg; Didier Lambert; Johan Wouters

doi:10.1107/S160053681004626X

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

Julie Braun, Irving Boittiaux, Anaelle Tilborg, Didier Lambert, Johan Wouters

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Abstract

The dicyclo-hexyl-amine salt of RG108 (N-phthalyl-l-tryptophan) co-crystallizes with a water mol-ecule and a disordered mol-ecule of dimethyl-formamide (DMF), viz. dicyclo-hexyl-aminium (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)propanoate dimethyl-formamide 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 dicyclo-hexyl-aminium ion and a dense hydrogen-bond network involving co-crystallized solvent mol-ecules. The dihedral angle between the fused ring systems in the anion is 58.35 (4)°.

Original language	English
Pages (from-to)	o3175-6
Number of pages	66
Journal	Acta crystallographica. Section E: Structure reports
Volume	66
Issue number	Pt 12
DOIs	https://doi.org/10.1107/S160053681004626X
Publication status	Published - 2010

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title = "The dicyclo-hexyl-amine salt of RG108 (N-phthalyl-L-tryptophan), a potential epigenetic modulator",

abstract = "The dicyclo-hexyl-amine salt of RG108 (N-phthalyl-l-tryptophan) co-crystallizes with a water mol-ecule and a disordered mol-ecule of dimethyl-formamide (DMF), viz. dicyclo-hexyl-aminium (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)propanoate dimethyl-formamide 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 dicyclo-hexyl-aminium ion and a dense hydrogen-bond network involving co-crystallized solvent mol-ecules. The dihedral angle between the fused ring systems in the anion is 58.35 (4)°.",

author = "Julie Braun and Irving Boittiaux and Anaelle Tilborg and Didier Lambert and Johan Wouters",

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T1 - The dicyclo-hexyl-amine salt of RG108 (N-phthalyl-L-tryptophan), a potential epigenetic modulator

AU - Braun, Julie

AU - Boittiaux, Irving

AU - Tilborg, Anaelle

AU - Lambert, Didier

AU - Wouters, Johan

N1 - Publication code : RES. ACAD. / OPEN ACCESS

PY - 2010

Y1 - 2010

N2 - The dicyclo-hexyl-amine salt of RG108 (N-phthalyl-l-tryptophan) co-crystallizes with a water mol-ecule and a disordered mol-ecule of dimethyl-formamide (DMF), viz. dicyclo-hexyl-aminium (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)propanoate dimethyl-formamide 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 dicyclo-hexyl-aminium ion and a dense hydrogen-bond network involving co-crystallized solvent mol-ecules. The dihedral angle between the fused ring systems in the anion is 58.35 (4)°.

AB - The dicyclo-hexyl-amine salt of RG108 (N-phthalyl-l-tryptophan) co-crystallizes with a water mol-ecule and a disordered mol-ecule of dimethyl-formamide (DMF), viz. dicyclo-hexyl-aminium (S)-2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)propanoate dimethyl-formamide 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 dicyclo-hexyl-aminium ion and a dense hydrogen-bond network involving co-crystallized solvent mol-ecules. The dihedral angle between the fused ring systems in the anion is 58.35 (4)°.

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DO - 10.1107/S160053681004626X

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JO - Acta crystallographica. Section E: Structure reports

JF - Acta crystallographica. Section E: Structure reports

IS - Pt 12

ER -

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

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Etude physico-chimique et structurale du polymorphisme cristallin d'anticancéreux potentiels : la cocristallisation comme solution au problème de solubilité.

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

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Etude physico-chimique et structurale du polymorphisme cristallin d'anticancéreux potentiels : la cocristallisation comme solution au problème de solubilité.

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