Tag: M.W=100-150

Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. Safety of 4-Nitro-1H-pyrazole.

Dadmand, Sina;Kamari, Farzin;Acree, William E. Jr;Jouyban, Abolghasem research published 《 A new computational method for drug solubility prediction in methanol + water mixtures》, the research content is summarized as follows. General solubility prediction models were developed using both classic least square and a novel method, in order to predict the solubility of the solutes in methanol + water binary solvent system. The novel approach to the regression anal. was investigated using an error minimization method. This aim was achieved by using a user-defined loss function regression, instead of the classic least square regression approach. To examine the results of the novel methodol., previous solubility data of 41 solutes were used for comparison. Both least square and novel methods were applied to the Jouyban-Acree model, Jouyban-Acree model in combination with Abraham parameters, and the modified Wilson model. The generally trained versions of the mentioned models produced more accurate predictions using the novel method than the least square method that has been confirmed by t-test analyses. The Jouyban-Acree model was the most accurate model among other generally trained models. Finally, the results were validated using a cross-validation anal. which produced the acceptable prediction accuracy of 24.6% mean percentage deviation (MPD) for the new methodol. against 32.1% of the least square method. Also a new arithmetically transformed version of aforementioned models was introduced in this study to make the calculations easier to execute.

2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., Safety of 4-Nitro-1H-pyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. 37622-90-5, formula is C6H8N2O2, Name is Ethyl 4-pyrazolecarboxylate. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. Product Details of C6H8N2O2.

Dallinger, Doris;Pinho, Vagner D.;Gutmann, Bernhard;Kappe, C. Oliver research published 《 Laboratory-Scale Membrane Reactor for the Generation of Anhydrous Diazomethane》, the research content is summarized as follows. A configurationally simple and robust semibatch apparatus for the in situ on-demand generation of anhydrous solutions of diazomethane (CH₂N₂) avoiding distillation methods is presented. Diazomethane is produced by base-mediated decomposition of com. available Diazald within a semipermeable Teflon AF-2400 tubing and subsequently selectively separated from the tubing into a solvent- and substrate-filled flask (tube-in-flask reactor). Reactions with CH₂N₂ can therefore be performed directly in the flask without dangerous and labor-intensive purification operations or exposure of the operator to CH₂N₂. The reactor has been employed for the methylation of carboxylic acids, the synthesis of α-chloro ketones and pyrazoles, and palladium-catalyzed cyclopropanation reactions on laboratory scale. The implementation of in-line FTIR technol. allowed monitoring of the CH₂N₂ generation and its consumption. In addition, larger scales (1.8 g diazomethane per h) could be obtained via parallelization (numbering up) by simply wrapping several membrane tubings into the flask.

Product Details of C6H8N2O2, Ethyl 4-pyrazolecarboxylate, also known as Ethyl pyrazole-4-carboxylate, is a useful research compound. Its molecular formula is C6H8N2O2 and its molecular weight is 140.14 g/mol. The purity is usually 95%.

Ethyl pyrazole-4-carboxylate is a low yield, transition metal salt that is used in the synthesis of pyrazoles. It can be synthesized by the reaction of sodium ethoxide with ethyl chloroformate and a Grignard reagent. Sodium ethoxide is added to a suspension of sodium chloride and dried ethyl chloroformate, followed by addition of magnesium turnings. The mixture is refluxed for one hour, cooled, and filtered to give crystals. Ethyl pyrazole-4-carboxylate is used in the preparation of ethyl esters from aliphatic alcohols by reacting with boron trichloride or phosphorus pentachloride. It participates in certain chemical reactions as a byproduct and can damage equipment during chemical reactions. The yield of this compound can be increased by using an excess amount of Grignard reagent or adding hexamethylenetetramine to the reaction mixture, 37622-90-5.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazole is an organic compound with the formula C3H3N2H. It is a heterocycle characterized by a 5-membered ring of three carbon atoms and two adjacent nitrogen atoms, which are in ortho-substitution. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. Pyrazoles are a class of compounds that have the ring C3N2 with adjacent nitrogen atoms.Notable drugs containing a pyrazole ring are celecoxib (celebrex) and the anabolic steroid stanozolol. Electric Literature of 2075-46-9.

De Vita, Elena;Schueler, Peter;Lovell, Scott;Lohbeck, Jasmin;Kullmann, Sven;Rabinovich, Eitan;Sananes, Amiram;Hessling, Bernd;Hamon, Veronique;Papo, Niv;Hess, Jochen;Tate, Edward W.;Gunkel, Nikolas;Miller, Aubry K. research published 《 Depsipeptides featuring a neutral P1 are potent inhibitors of kallikrein-related peptidase 6 with on-target cellular activity》, the research content is summarized as follows. Kallikrein-related peptidase 6 (KLK6) is a secreted serine protease that belongs to the family of tissue kallikreins (KLKs). Many KLKs are investigated as potential biomarkers for cancer as well as therapeutic drug targets for a number of pathologies. KLK6, in particular, has been implicated in neurodegenerative diseases and cancer, but target validation has been hampered by a lack of selective inhibitors. This work introduces a class of depsipeptidic KLK6 inhibitors, discovered via high-throughput screening, which were found to function as substrate mimics that transiently acylate the catalytic serine of KLK6. Detailed structure-activity relationship studies, aided by in silico modeling, uncovered strict structural requirements for potency, stability, and acyl-enzyme complex half-life. An optimized scaffold, DKFZ-251, demonstrated good selectivity for KLK6 compared to other KLKs, and on-target activity in a cellular assay. Moreover, DKFZ-633, an inhibitor-derived activity-based probe, could be used to pull down active endogenous KLK6.

Electric Literature of 2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., 2075-46-9.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazoles are synthesized by the reaction of α,β-unsaturated aldehydes with hydrazine and subsequent dehydrogenation. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. Substituted pyrazoles are prepared by condensation of 1,3-diketones with hydrazine (Knorr-type reactions). For example, acetylacetone and hydrazine gives 3,5-dimethylpyrazole. Related Products of 2075-46-9.

Barzegar-Jalali, Mohammad;Rahimpour, Elaheh;Acree, William E. Jr.;Jouyban, Abolghasem research published 《 A global version of modified Wilson model for solubility prediction of drugs in methanol + water mixtures》, the research content is summarized as follows. The trained version of modified Wilson model is proposed employing solubility data of 41 drugs and/or drug-like compounds in methanol + water mixtures at various temperatures For covering the physicochem. properties of the solute to provide a QSPR model, the Abraham solvation parameters of solutes are combined with the modified Wilson model. The mean relative deviations for the correlated data are 32.5% and 27.1%, resp. for the modified Wilson model and its combined version with Abraham solvation parameters. Furthermore, an attempt is also made to correlate the solubility data with the modified Wilson model combined with van’t Hoff equation and the Abraham general solvation parameters to provide a full predictive model for drug solubility prediction in methanol + water mixtures at various temperatures

Related Products of 2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., 2075-46-9.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. Reference of 2075-46-9.

Zhu, Shuangfei;Yang, Wei;Gan, Qiang;Feng, Changgen research published 《 Comparative Quantum Chemistry Study on the Unimolecular Decomposition Channels of Pyrazole and Imidazole Energetic Materials》, the research content is summarized as follows. The difference in the initial decomposition step of pyrazoles and imidazoles was explored using the M062X method for optimization and G4-MP2 and approximated CCSD(T) methods for energies. Laplacian bond order anal. was used to study the effect of the nitro group on the bond strength and predict the bond dissociation energy (BDE) of the ring. Thermochem. results show that the most possible decay channel of 1H-pyrazole and 3-nitropyrazole is the N₂ elimination, while the preferred initial step of 1H-imidazole is the CHN elimination. However, the nitro-nitrite isomerization dominates the decomposition of other nitro derivatives of 1H-pyrazole and 1H-imidazole. As for the formation of HO and HONO, the high energy barrier makes it difficult to take place. Based on the anal. of the lowest energy barrier and the BDE of NO₂ loss, it can be concluded that imidazoles are more stable than pyrazoles. This work contributes to revealing the difference in the initial step of energetic isomers and the understanding of the decomposition mechanism of energetic azoles.

2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., Reference of 2075-46-9

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. 1-Methyl-5-(trifluoromethyl)pyrazole underwent deprotonation and subsequent carboxylation mainly or exclusively at either the 4-position of the heterocycle or at the nitrogen-attached methyl group. Recommanded Product: 4-Nitro-1H-pyrazole.

Barzegar-Jalali, Mohammad;Rahimpour, Elaheh;Martinez, Fleming;Jouyban, Abolghasem research published 《 Generally trained models to predict drug solubility in methanol + water mixtures》, the research content is summarized as follows. The aim of this study is to develop the trained versions of Yalkowsky and Jouyban-Acree models for the prediction of drug solubility in the binary aqueous mixtures of methanol (MeOH) at various temperatures To provide a full predictive model, the Abraham solvation parameters of solutes are combined with the proposed models. The solubility data of 41 drug and/or drug-like compounds with different polarities and structural features covering the total drug-like space are fitted by these models. The generally trained models provide reasonable estimation of the solubility behavior of drugs and can be helpful in the pharmaceutical industry.

Recommanded Product: 4-Nitro-1H-pyrazole, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., 2075-46-9.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazoles are synthesized by the reaction of α,β-unsaturated aldehydes with hydrazine and subsequent dehydrogenation. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. Substituted pyrazoles are prepared by condensation of 1,3-diketones with hydrazine (Knorr-type reactions). For example, acetylacetone and hydrazine gives 3,5-dimethylpyrazole. Application of C3H3N3O2.

Zhu, Shuangfei;Yang, Wei;Gan, Qiang;Feng, Changgen research published 《 Initial Steps and Thermochemistry of Unimolecular Decomposition of Oxadiazole Energetic Materials: Quantum Chemistry Modeling》, the research content is summarized as follows. In order to resolve the existing discrepancies in the mechanism and key intermediates of oxadiazole thermolysis, the initial decomposition pathways of oxadiazoles have been studied comprehensively using the M062X method for optimization and CBS-QB3 and DLPNO-CCSD(T) methods for energies. The transformation from the furoxan ring to nitro group was suggested as a potential decay channel of furoxan compounds Results of thermochem. calculations showed that the preferred decomposition reaction of oxadiazoles is the ring-opening through the cleavage of the O-C or O-N bond. The introduction of the nitro group has little effect on the preferential path of oxadiazole thermal decomposition, but a great impact on the energy barrier. The lowest energy barrier and bond dissociation energy of NO₂ loss of azoles were comprehensively studied based on the quantum chem. calculations The initial decay steps of 3,4-dinitrofurazanfuroxan and benzotrifuroxan were also studied to give insights into the mechanism of primary stages of thermal decomposition of oxadiazoles.

Application of C3H3N3O2, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., 2075-46-9.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics