Vapour pressures and molar enthalpies of sublimation for 5-alkyl derivatives of 1,3-dimethyluracil

ński, Miron Kami; Zielenkiewicz, W.

doi:10.1006/jcht.1996.0013

Cited by 15 publications

(19 citation statements)

References 6 publications

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“…The experimental enthalpies of solution ⌬ sol H m , enthalpies of sublimation ⌬ sub H m , partial molar volumes V 2 Њ and partial molar heat capacities CЊ p,2 reported earlier [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19] [7], VЊ 2 [6], ⌬HЊ sol [9]); 20. 1,3-dimethyl-5-butyl (CЊ p,2 [7]), VЊ 2 [6], ⌬HЊ sol [9] [7], VЊ 2 [7], ⌬HЊ sol [8]); 25.…”

Section: Methodsmentioning

confidence: 83%

Aqueous solutions of pyrimidine nucleic acid bases. Solute-solvent interactions

Zielenkiewicz¹

1999

Pure and App Chemis

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Abstract:The data previously reported on the enthalpy of hydration, partial molar volumes and heat capacities of alkylated pyrimidine nucleic acid bases, e.g. uracil, thymine and cytosine, were correlated with the following structural parameters: molecular volume, volume of solvation shell, accessible molecular surface area and its atomic partition as well as and electrostatic potential charge. The simple additivity scheme of group contributions was also taken into consideration. The correlations obtained are presented and discussed. The results of the investigations clearly show that polar interactions are decisive in structuring the water around the solute molecules.

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Section: Methodsmentioning

confidence: 83%

Aqueous solutions of pyrimidine nucleic acid bases. Solute-solvent interactions

Zielenkiewicz¹

1999

Pure and App Chemis

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“…The physicochemical and spectral data for compounds 1-29 have been described in separate papers: 1, 12 [15], 2, 5, 13, 16 [20], 3, 4, 14, 15 [21], 6-9, 17-19, 22 [19], 10, 11, 23, 24 [18], 20, 21 [14], 25-29 [23].…”

Section: Resultsmentioning

confidence: 99%

“…In this series of compounds, four molecules 12, 18, 20, and 24 were active only in the pentylenetetrazole seizures model. The SAR studies showed that except for pyridin-2-yl derivatives (23,24), the higher activity was observed in general for 2-azaspiro [4.4]nonane-1,3-diones (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11) in comparison with respective 2-azaspiro[4.5]decane-1,3-diones (12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22)(23)(24).…”

Section: Anticonvulsant Activitymentioning

confidence: 99%

Synthesis, Anticonvulsant Properties, and SAR Analysis of Differently Substituted Pyrrolidine‐2,5‐diones and Piperidine‐2,6‐diones

Kamiński

Wiklik

Obniska

2014

Archiv der Pharmazie

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Twenty-two differently substituted 1H-isoindole-1,3(2H)-diones (30-39), 8-azaspiro[4.5]decane-7,9-diones (40-45), and 3-azaspiro[5.5]undecane-2,4-diones (46-51) were synthesized and tested for anticonvulsant activity. These molecules were designed as analogs of previously obtained azaspirosuccinimides (1-24). Initial anticonvulsant screening was performed in mice using the maximal electroshock (MES) and subcutaneous pentylenetetrazole (scPTZ) seizure tests. The acute neurological toxicity was determined applying the minimal motor impairment rotorod test. The preliminary pharmacological results showed that 15 new compounds were effective in at least one animal model of epilepsy, from which nine molecules showed protection against both MES and scPTZ seizures. The structure-activity relationship analysis revealed that anticonvulsant activity was connected closely with the structure of the imide fragment; the most favorable one was the hexahydro-1H-isoindole-1,3(2H)-dione core. 2-(2-Chlorophenyl)hexahydro-1H-isoindole-1,3(2H)-dione (31) showed activity in the 6-Hz psychomotor seizure model, which identifies substances effective in partial and therapy-resistant epilepsy. 3-[(4-Chlorophenyl)amino]-3-azaspiro[5.5]undecane-2,4-dione (47) was active in the in vitro hippocampal slice culture neuroprotection assay.

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“… a A value 103.5 ± 1.5 was reported in ref and it was referred to the average temperature of experiment 326.4 K. We adjusted this value to the reference temperature 298.15 K. b Value measured over the temperature range 316.8–321.8 K, taken from ref . …”

Section: Resultsmentioning

confidence: 99%

Thermochemistry of Uracils. Experimental and Computational Enthalpies of Formation of 5,6-Dimethyl-, 1,3,5-Trimethyl-, and 1,3,5,6-Tetramethyluracils

et al. 2012

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We describe in the current paper an experimental and computational study of three methylated uracils, in particular, the 5,6-dimethyl-, 1,3,5-trimethyl-, and 1,3,5,6-tetramethyl derivatives. The values of the standard (p 0 = 0.1 MPa) molar enthalpies of formation in the gas phase at T = 298.15 K have been determined. The energies of combustion were measured by static bomb combustion calorimetry, and from the results obtained, the standard molar enthalpies of formation in the crystalline state at T = 298.15 K were calculated. The enthalpies of sublimation were determined using the transpiration method in a saturated N2 stream. Values of −(376.2 ± 2.6), −(355.9 ± 3.0), and −(381.7 ± 2.8) kJ·mol–1 for the gas-phase enthalpies of formation at T = 298.15 K of 5,6-dimethyluracil, 1,3,5-trimethyluracil, and 1,3,5,6-tetramethyluracil, respectively, were obtained from the experimental thermochemical study. An extended theoretical study with the G3 and the G4 quantum-chemical methods has been carried out for all the possible methylated uracils. There is a very good agreement between experimental and calculated enthalpies of formation for the three derivatives studied. A Free–Wilson analysis on G4-calculated enthalpies of formation has been carried out, and the contribution of methylation in the different positions of the uracil ring has been estimated.

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Vapour pressures and molar enthalpies of sublimation for 5-alkyl derivatives of 1,3-dimethyluracil

Cited by 15 publications

References 6 publications

Aqueous solutions of pyrimidine nucleic acid bases. Solute-solvent interactions

Aqueous solutions of pyrimidine nucleic acid bases. Solute-solvent interactions

Synthesis, Anticonvulsant Properties, and SAR Analysis of Differently Substituted Pyrrolidine‐2,5‐diones and Piperidine‐2,6‐diones

Thermochemistry of Uracils. Experimental and Computational Enthalpies of Formation of 5,6-Dimethyl-, 1,3,5-Trimethyl-, and 1,3,5,6-Tetramethyluracils

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