Crystal Structures and Phase Relationships of 2 Polymorphs of 1,4-Diazabicyclo[3.2.2]nonane-4-Carboxylic Acid 4-Bromophenyl Ester Fumarate, A Selective α-7 Nicotinic Receptor Partial Agonist
| Autor: | Josep-Lluís Tamarit, Ivo B. Rietveld, Benoît Robert, Maria Barrio, René Céolin, Marc-Antoine Perrin, Gérard Coquerel |
|---|---|
| Přispěvatelé: | Universitat Politècnica de Catalunya. Departament de Física, Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials, Sciences et Méthodes Séparatives (SMS), Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Normandie Université (NU), Sanofi-Aventis R&D, SANOFI Recherche, Grup de Caracteritzacio de Materials (GCM), Departament de Fisica i Enginyeria Nuclear, Universitat Politècnica de Catalunya [Barcelona] (UPC), Collaboration |
| Rok vydání: | 2016 |
| Předmět: |
Phase transition
alpha7 Nicotinic Acetylcholine Receptor Pharmaceutical Science [CHIM.THER]Chemical Sciences/Medicinal Chemistry 02 engineering and technology Crystal structure 030226 pharmacology & pharmacy polymorphism law.invention chemistry.chemical_compound 0302 clinical medicine Fumarates law Nicotinic Agonists Crystallization ComputingMilieux_MISCELLANEOUS chemistry.chemical_classification [CHIM.ORGA]Chemical Sciences/Organic chemistry Chemistry [CHIM.MATE]Chemical Sciences/Material chemistry 021001 nanoscience & nanotechnology [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry Drug Partial Agonism Polymorphism (materials science) Thermogravimetry 0210 nano-technology thermal analysis crystal structure Carboxylic acid Física::Física de l'estat sòlid [Àrees temàtiques de la UPC] Crystals Phase Transition physical stability thermodynamics 03 medical and health sciences [CHIM.CRIS]Chemical Sciences/Cristallography Termodinàmica [CHIM]Chemical Sciences Clapeyron equation Transition temperature solid state Bridged Bicyclo Compounds Heterocyclic high pressure Crystallography Models Chemical phase transition topological phase diagram Sublimation (phase transition) Cristalls Nonane |
| Zdroj: | UPCommons. Portal del coneixement obert de la UPC Universitat Politècnica de Catalunya (UPC) Journal of Pharmaceutical Sciences Journal of Pharmaceutical Sciences, Wiley, 2016, 105 (1), pp.64-70. ⟨10.1016/j.xphs.2015.10.015⟩ Recercat. Dipósit de la Recerca de Catalunya instname |
| ISSN: | 0022-3549 1520-6017 |
| DOI: | 10.1016/j.xphs.2015.10.015 |
| Popis: | Two polymorphs of the 1:1 fumarate salt of 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid 4-bromophenyl ester, developed for the treatment of cognitive symptoms of schizophrenia and Alzheimer disease, have been characterized. The 2 crystal structures have been solved, and their phase relationships have been established. The space group of form I is P2₁/c with a unit-cell volume of 1811.6 (5) Å(3) with Z = 4. The crystals of form I were 2-component nonmerohedral twins. The space group of form II is P2₁/n with a unit-cell volume of 1818.6 (3) Å(3) with Z = 4. Relative stabilities have been inferred from experimental and topological P-T diagrams exhibiting an overall enantiotropic relationship between forms I and II although the solid-solid transition has never been observed. The slope of the I-II equilibrium in the P-T diagram is negative, form II is the stable phase below the solid-solid transition temperature of 371 K, and form I exhibits a stable melting equilibrium. The I-II transition temperature has been obtained from the intersection of the sublimation curves of the 2 solid forms. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|