Tag: 100-200

On January 11, 2018, Ilyina, Margarita G.; Khamitov, Edward M.; Ivanov, Sergey P.; Mustafin, Akhat G.; Khursan, Sergey L. published an article.Recommanded Product: 6-Methylpyrimidine-2,4(1H,3H)-dione The title of the article was Theoretical Models for Quantitative Description of the Acid-Base Equilibria of the 5,6-Substituted Uracils. And the article contained the following:

The acidities of 18 5,6-substituted uracils have been numerically estimated as pKa values in terms of three theor. models. The first scheme includes the calculation of the gas-phase acidity of uracil with the G3MP2B3 method and taking into account the solvent effect using the polarizable continuum approximation PCM(SMD)-TPSS/aug-cc-pVTZ. The second model is one-step and implies calculating of the free Gibbs energies of the hydrate complex of uracil (and its anion) with 5 water mols. by the TPSS/aug-cc-pVTZ method. This model accounts the solvent effect corresponding to both specific and nonspecific solvation. The third scheme required high time and computational resources and includes the strong features of the two previous schemes. Here, the theor. estimation of pKa is performed by the CBS-QB3 composite method. As in the second approach, both specific (as pentahydrate) and nonspecific solvent effects are accounted. We have analyzed the advantages and model restrictions of the considered schemes for the pKa calculations All models have the systematic errors, which have been corrected with the linear empirical regression relations. Herewith, the absolute mean deviations of the pKa values of uracils dissociating via the N1-H bonds diminish to 0.25, 0.28 and 0.23 pKa units (resp., for I, II, and III models) that corresponds to ∼0.3 kcal/mol on the energy scale. The applicability of our computational schemes to uracils dissociating via N3-H, O-H (orotic acids) and C-H bonds is discussed. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Recommanded Product: 6-Methylpyrimidine-2,4(1H,3H)-dione

The Article related to acid base equilibrium acidity uracil derivative water solution, Phase Equilibriums, Chemical Equilibriums, and Solutions: Acid-Base Equilibriums, Complex Formation and other aspects.Recommanded Product: 6-Methylpyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On September 1, 2019, Zueva, Irina; Dias, Jose; Lushchekina, Sofya; Semenov, Vyacheslav; Mukhamedyarov, Marat; Pashirova, Tatiana; Babaev, Vasiliy; Nachon, Florian; Petrova, Natalia; Nurullin, Leniz; Zakharova, Lucia; Ilyin, Victor; Masson, Patrick; Petrov, Konstantin published an article.Quality Control of 6-Methylpyrimidine-2,4(1H,3H)-dione The title of the article was New evidence for dual binding site inhibitors of acetylcholinesterase as improved drugs for treatment of Alzheimer’s disease. And the article contained the following:

Profound synaptic dysfunction contributes to early loss of short-term memory in Alzheimer’s disease. This study was set up to analyze possible neuroprotective effects of two dual binding site inhibitors of acetylcholinesterase (AChE), a new 6-methyluracil derivative, C-35, and the clin. used inhibitor donepezil. Crystal structure of the complex between human AChE and C-35 revealed tight contacts of ligand along the enzyme active site gorge. Mol. dynamics simulations indicated that the external flexible part of the ligand establishes multiple transient interactions with the enzyme peripheral anionic site. Thus, C-35 is a dual binding site inhibitor of AChE. In transgenic mice, expressing a chimeric mouse/human amyloid precursor protein and a human presenilin-1 mutant, C-35 (5 mg/kg, i.p) and donepezil (0.75 mg/kg, i.p) partially reversed synapse loss, decreased the number of amyloid plaques, and restored learning and memory. To sep. temporal symptomatic therapeutic effects, associated with the increased lifetime of acetylcholine in the brain, from possible disease-modifying effect, an exptl. protocol based on drug withdrawal from therapy was performed. When administration of C-35 and donepezil was terminated three weeks after the trial started, animals that were receiving C-35 showed a much better ability to learn than those who received vehicle or donepezil. Our results provide addnl. evidence that dual binding site inhibitors of AChE have Alzheimer’s disease-modifying action. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Quality Control of 6-Methylpyrimidine-2,4(1H,3H)-dione

The Article related to alzheimers disease acetylcholinesterase c35 donepezil, alzheimer’s disease, inhibitors of cholinesterase, methyluracil derivatives, β-amyloid, Pharmacology: Effects Of Nervous System- and Behavior-Affecting Drugs and Neuromuscular Agents and other aspects.Quality Control of 6-Methylpyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On May 26, 2011, Carpenter, Andrew J.; Fang, Jing; Peckham, Gregory published a patent.Related Products of 596114-50-0 The title of the patent was Chemical compounds and uses. And the patent contained the following:

The present invention relates to novel compounds that are useful in the treatment of metabolic disorders, particularly type II diabetes mellitus and related disorders, and also to the methods for the making and use of such compounds The experimental process involved the reaction of 2-Chloro-5-isopropylpyrimidine(cas: 596114-50-0).Related Products of 596114-50-0

The Article related to pyridazinyl derivative preparation gpr119 agonist treatment metabolic disorder, Heterocyclic Compounds (More Than One Hetero Atom): Pyridazines, Cinnolines, and Phthalazines and other aspects.Related Products of 596114-50-0

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On February 4, 2010, Carpenter, Andrew J.; Fang, Jing; Peckham, Gregory published a patent.Reference of 2-Chloro-5-isopropylpyrimidine The title of the patent was Pyridazinyl derivatives as GPR119 agonists and their preparation and use in the treatment of metabolic disorders. And the patent contained the following:

The invention relates to compounds of formula I that are useful in the treatment of metabolic disorders, particularly type II diabetes mellitus and related disorders, and also to the methods for the making and use of such compounds Compounds of formula I wherein R1 is C1-3 alkyl and halo; A is (un)substituted phenylene, (un)substituted pyridinyl and (un)substituted pyrazinyl; R3 is H, C1-5 alkyl and C3-7 cycloalkyl; R4 is COCOR5, CO2R5, COR5, SO2C1-5 alkyl, SO2NH2 and derivatives, etc.; R5 is C1-5 alkyl and C3-7 cycloalkyl, Ph, phenyl-C1-4 alkylene, 3- to 7-membered heterocyclic ring and (un)substituted C1-5 alkyl; and pharmaceutically acceptable salts thereof, are claimed. Example compound II was prepared by a multistep procedure (procedure given). All the invention compounds were evaluated for their GPR119 agonistic activity. The experimental process involved the reaction of 2-Chloro-5-isopropylpyrimidine(cas: 596114-50-0).Reference of 2-Chloro-5-isopropylpyrimidine

The Article related to pyridazinyl derivative preparation gpr119 agonist treatment metabolic disorder, Heterocyclic Compounds (More Than One Hetero Atom): Pyridazines, Cinnolines, and Phthalazines and other aspects.Reference of 2-Chloro-5-isopropylpyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On September 30, 2019, Maksyutova, A. A.; Zimin, Yu. S.; Gimadieva, A. R.; Mustafin, A. G. published an article.Computed Properties of 626-48-2 The title of the article was Kinetics of the Oxidation of Uracil and Six of Its Derivatives by Ozone in Aqueous Solutions. And the article contained the following:

The kinetics of the oxidation of uracil and six of its derivatives (thymine, 6-methyluracil, 5-bromo-6-methyluracil, 5-nitro-6-methyluracil, 1,3-dimethylthymine, and 5-hydroxy-1,3,6-trimethyluracil) by ozone in aqueous solutions is studied via spectrophotometry. It is shown that the reactions proceed according to a second-order kinetic law. The temperature dependence of the second-order rate constants is investigated, and the activation parameters of the reaction are determined in the range of 285-309 K. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Computed Properties of 626-48-2

The Article related to uracil ozone oxidation kinetics activation energy molar absorptivity, Physical Organic Chemistry: Oxidation-Reduction, Including Dehydrogenation and Hydrogenolysis and other aspects.Computed Properties of 626-48-2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On March 14, 2012, Deng, Bingchu; Li, Xin; Wang, Bin; Li, Xiangqin; Chen, Yang; Chen, Xuejiang; Zhang, Lei; Song, Min published a patent.Reference of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride The title of the patent was Preparation of phthalazinone derivatives useful as antitumor agents. And the patent contained the following:

The invention relates to phthalazinone derivatives (e.g., I), processes for preparing them, pharmaceutically preparations comprising them, and their use as poly (ADP-ribose) polymerase (PARP) inhibitors for treating cancer. For instance, the invention compound I was prepared and gave a PARP-1 inhibition IC50 value of 0.5 nM. The experimental process involved the reaction of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride(cas: 1187830-46-1).Reference of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride

The Article related to phthalazinone derivative preparation antitumor parp inhibitor, Heterocyclic Compounds (More Than One Hetero Atom): Pyridazines, Cinnolines, and Phthalazines and other aspects.Reference of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On February 16, 2012, Tang, Pengcho; Li, Xin; Wang, Bin; Li, Xiangqin; Chen, Yang; Chen, Xuejiang; Zhang, Lei; Song, Min published a patent.Reference of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride The title of the patent was Preparation of phthalazinone derivatives useful as antitumor agents. And the patent contained the following:

The invention relates to phthalazinone derivatives (e.g., I), processes for preparing them, pharmaceutically preparations comprising them, and their use as poly (ADP-ribose) polymerase (PARP) inhibitors for treating cancer. For instance, the invention compound I was prepared and gave a PARP-1 inhibition IC50 value of 0.5 nM. The experimental process involved the reaction of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride(cas: 1187830-46-1).Reference of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride

The Article related to phthalazinone derivative preparation antitumor parp inhibitor, Heterocyclic Compounds (More Than One Hetero Atom): Pyridazines, Cinnolines, and Phthalazines and other aspects.Reference of 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On May 31, 2012, Akhatova, G. R.; Safarova, I. V.; Gerchikov, A. Ya.; Enikeev, A. A. published an article.Name: 6-Methylpyrimidine-2,4(1H,3H)-dione The title of the article was Kinetics and mechanism of the reactions of uracil with hydrogen peroxide in aqueous solutions. And the article contained the following:

The kinetics of the reactions of 5-hydroxy-6-methyluracil and 6-methyluracil with hydrogen peroxide in aqueous solutions has been investigated. The reactions proceed via two competitive mechanisms, namely, free-radical and nonradical ones. The iron ions present in water as impurities make possible the free-radical mechanism. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Name: 6-Methylpyrimidine-2,4(1H,3H)-dione

The Article related to uracil hydrogen peroxide reaction kinetics mechanism iron, Physical Organic Chemistry: Oxidation-Reduction, Including Dehydrogenation and Hydrogenolysis and other aspects.Name: 6-Methylpyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On December 31, 2015, Zimin, Yu. S.; Khairullina, L. R.; Kutlugil’dina, G. G.; Mustafin, A. G. published an article.COA of Formula: C5H6N2O2 The title of the article was Chemiluminescence in the reaction of ozone with 6-methyluracil in aqueous solutions. And the article contained the following:

Chemiluminescence in the visible part of the spectrum during the oxidation of 6-methyluracil with ozone in aqueous solutions was found. The kinetics of variation of the luminescence intensity was studied in the temperature range 287-333 K, and the activation parameters of the process were determined The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).COA of Formula: C5H6N2O2

The Article related to methyluracil ozone chemiluminescence oxidation kinetics, Physical Organic Chemistry: Oxidation-Reduction, Including Dehydrogenation and Hydrogenolysis and other aspects.COA of Formula: C5H6N2O2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Kasradze, V. G.; Ignatyeva, I. B.; Khusnutdinov, R. A.; Suponitskii, K. Yu.; Antipin, M. Yu.; Yunusov, M. S. published an article in 2012, the title of the article was Oxidative halogenation of 6-methyluracil.Formula: C5H6N2O2 And the article contains the following content:

An efficient method has been developed for the preparation of halo derivatives of 6-methyluracil by employing oxidative halogenation. Elemental halogens and potassium halides were used as the halogenating agents, while NaNO3 and H2O2 were used as the oxidizing agents. Iodination of 6-methyluracil leads to 5-iodo-6-methyluracil as the single reaction product, while bromination or chlorination lead to 5-halo-6-methyluracil, 5,5-dihalo-6-hydroxy-6-methyl-5,6-dihydrouracil, or their mixture depending on the acidity of the medium and the ratio of the substrate and reagents. Bromination of 5-chloro-6-methyluracil leads to 5-bromo-5-chloro-6-hydroxy-6-methyl-5,6-dihydrouracil, while chlorination of 6-methyl-, 5-bromo-6-methyl-, and 5-chloro-6-methyluracils using gaseous chlorine yields 5,5-dichloro-6-hydroxy-6-methyl-5,6-dihydrouracil. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Formula: C5H6N2O2

The Article related to oxidative halogenation methyluracil crystallog, Physical Organic Chemistry: Oxidation-Reduction, Including Dehydrogenation and Hydrogenolysis and other aspects.Formula: C5H6N2O2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia