Day: January 4, 2023

Calculation of one-electron reduction potentials for nitroheterocyclic hypoxia-selective agents was written by Beveridge, Allan J.;Williams, Mark;Jenkins, Terence C.. And the article was included in Journal of the Chemical Society, Faraday Transactions in 1996.Quality Control of 1-Methyl-3-nitro-1H-pyrazole This article mentions the following:

Theor. one-electron reduction potentials, E¹, have been determined for a set of eight nitroarene hypoxic cell radiosensitizers using a combination of classical statistical mechanics and quantum mech. methods. Gas-phase electron affinities were calculated using lab initio Hartree-Fock calculations and relative hydration energies were computed using the free energy perturbation (FEP) method. The results were used to estimate the relative one-electron reduction potentials for these mols. in solution In general, the computed results are in good agreement with experiment although further work is required by determine the limitations of the method. Nevertheless, the method shows sufficient promise to be of value in the rational design of improved oxidative agents for use as hypoxia-selective radiosensitizers and bioreductivity activated cytotoxins. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1Quality Control of 1-Methyl-3-nitro-1H-pyrazole).

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) belongs to pyrazole derivatives. Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns.Quality Control of 1-Methyl-3-nitro-1H-pyrazole

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

Design, practical synthesis and biological evaluation of novel 6-(pyrazolylmethyl)-4-quinoline-3-carboxylic acid derivatives as HIV-1 integrase inhibitors was written by Hu, Liming;Yan, Song;Luo, Zaigang;Han, Xiao;Wang, Yujie;Wang, Zhanyang;Zeng, Chengchu. And the article was included in Molecules in 2012.Application of 15953-73-8 This article mentions the following:

A series of novel 6-(pyrazolylmethyl)-4-oxo-4H-quinoline-3-carboxylic acid derivatives bearing different substituents on the N-position of quinoline ring were designed and synthesized as potential HIV-1 integrase (IN) inhibitors, based on the structurally related GS-9137 scaffold. The structures of all new compounds were confirmed by ¹H-NMR, ¹³C-NMR and ESI (or HRMS) spectra. Detailed synthetic protocols and the anti-IN activity studies are also presented. In the experiment, the researchers used many compounds, for example, 4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8Application of 15953-73-8).

4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8) belongs to pyrazole derivatives. Pyrazoles, a five-membered heterocycle containing two adjacent nitrogen atoms, are the core structures found in a number of molecules that possess a wide range of pharmaceutical and agricultural activities. Pyrazoles and pyrimidines have diverse biological and pharmacological activities. There are a number of antimicrobial compounds containing pyrazole moiety as the core unit. Pyrazofurin is important antimicrobial drug and 2-methylpyrimidine-4-ylamine derivatives I and II were found to be effective inhibitors of Escherichia coli PDHc-E1 with antibacterial and antifungal activity.Application of 15953-73-8

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

Selective method for the preparation of isomeric N-alkyl and N-aryl-3(5)-amino-5(3)-hydroxy-1H-pyrazole-1-carboxamides was written by Drummond, James T.;Johnson, Graham. And the article was included in Journal of Heterocyclic Chemistry in 1988.Recommanded Product: 934-48-5 This article mentions the following:

Aminoacylation of cyanohydrazides NCCHRCONHNH₂ (R = H, Et, octyl, Ph, CHPh₂) with 3,5-dimethyl-1H-pyrazole-1-carboxamide or isocyanates gave semicarbazides NCCHRCONHNHCONHR¹ (I, R = Et, octyl, CHPh₂, R¹ = H; R = H, R¹ = Me, CH₂CH₂Cl, C₆H₃Et₂-2,6, C₆H₄OPh-4; R = R¹ = H, Ph) in 23-96% yields. Cyclization of I with NaOH followed by HCl gave pyrazolecarboxamides II in 35-100% yields. Thermal isomerization of II in EtOAc gave isomeric pyrazolecarboxamides III. In the experiment, the researchers used many compounds, for example, 3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5Recommanded Product: 934-48-5).

3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5) belongs to pyrazole derivatives. An alternative way to synthesize multisubstituted pyrazoles is the Csingle bondH arylation of simple pyrazoles. Pyrazoles and pyrimidines have diverse biological and pharmacological activities. There are a number of antimicrobial compounds containing pyrazole moiety as the core unit. Pyrazofurin is important antimicrobial drug and 2-methylpyrimidine-4-ylamine derivatives I and II were found to be effective inhibitors of Escherichia coli PDHc-E1 with antibacterial and antifungal activity.Recommanded Product: 934-48-5

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

Copper-Catalyzed Hydroamination of Oxa- and Azabenzonorbornadienes with Pyrazoles was written by Kim, Kundo;Lee, Yunmi. And the article was included in Journal of Organic Chemistry in 2022.Application In Synthesis of 3-(4-Bromophenyl)-1H-pyrazole This article mentions the following:

An efficient and highly chemo- and stereoselective copper-catalyzed hydroamination of oxa- and azabenzonorbornadienes with various pyrazole derivatives is described. This catalytic process is promoted by the presence of N-heterocyclic carbene ligands and KOt-Bu under mild and simple reaction conditions, and allows for the direct synthesis of new and versatile functionalized oxa(aza)benzonorbornyl pyrazoles I (R = H, 6,7-(OMe)₂, 6,7-(Br)₂, etc; X = O, N(Boc), N(Ac), etc.; R¹ = H, 4-Me, 4-Cl, etc.) starting from readily available oxa(aza)bicyclic alkenes. The synthetic utility of this method was demonstrated by the transformation of the obtained products into pyrazolyl-substituted naphthalenes. In the experiment, the researchers used many compounds, for example, 3-(4-Bromophenyl)-1H-pyrazole (cas: 73387-46-9Application In Synthesis of 3-(4-Bromophenyl)-1H-pyrazole).

3-(4-Bromophenyl)-1H-pyrazole (cas: 73387-46-9) belongs to pyrazole derivatives. Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. The pyrazole ring is resistant to oxidation and reduction but the groups, such as alkyl and formyl attached to the ring, are oxidized to respective acids. Only electrolytic oxidation, ozonolysis, and a strong base cause ring opening.Application In Synthesis of 3-(4-Bromophenyl)-1H-pyrazole

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

Synthesis and properties of 1,2-dihydro-4(3H)-quinazolinones was written by Khachatryan, D. S.;Belus, S. K.;Misyurin, V. A.;Baryshnikova, M. A.;Kolotaev, A. V.;Matevosyan, K. R.. And the article was included in Russian Chemical Bulletin in 2017.HPLC of Formula: 15953-73-8 This article mentions the following:

Herein, the modified preparative-scale method for the synthesis of 2-aryl 1,2-dihydro-4(3H)-quinazolinone derivatives by the reaction of new and com. available aromatic aldehydes with anthranilic acid amides has been described. A series of quinazolinone derivatives possessing anticancer and antiparasitic activities, as well as capable of preventing the progress of neurodegenerative diseases were characterized. In the experiment, the researchers used many compounds, for example, 4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8HPLC of Formula: 15953-73-8).

4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8) belongs to pyrazole derivatives. 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. The presence of both electronegative nitrogen atoms in the pyrazole ring reduces the electron density of the C3- and C5-positions leaving electron density of C4-position unaltered. Thus the C4-position is vulnerable to electrophilic attack. The C3 electrophilic-position may undergo deprotonation in the presence of a strong base leading to ring opening.HPLC of Formula: 15953-73-8

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

New Reaction Products of Acetylacetone with Semicarbazide Derivatives was written by Glukhacheva, Vera S.;Il’yasov, Sergey G.;Kazantsev, Igor V.;Shestakova, Elena O.;Il’yasov, Dmitri S.;Eltsov, Ilia V.;Nefedov, Andrey A.;Gatilov, Yuri V.. And the article was included in ACS Omega in 2021.Electric Literature of C6H9N3O This article mentions the following:

The reaction with acetylacetone resulted in monocyclic 3,5-dimethyl-N-nitropyrazole-1-carboxamide, monocyclic 5-hydroxy-3,5-dimethyl-2-pyrazoline, and bicyclic bis(3,5-dimethylpyrazole-1-carbonyl)hydrazine, and conditions for the formation of acetone semicarbazone were identified. The structures of the resultant compounds were validated by physicochem. anal. methods, including X-ray diffraction. The computer-aided screening in the PASS prediction software discovered a high biol. activity of the newly obtained compounds In the experiment, the researchers used many compounds, for example, 3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5Electric Literature of C6H9N3O).

3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5) belongs to pyrazole derivatives. Pyrazole has two ring nitrogen atoms in which N1 is pyrrolic and N2 is pyridine-like. The N1 nitrogen is not reactive but is deprotonated in the presence of a base-forming anion. Pyrazoles and pyrimidines have diverse biological and pharmacological activities. There are a number of antimicrobial compounds containing pyrazole moiety as the core unit. Pyrazofurin is important antimicrobial drug and 2-methylpyrimidine-4-ylamine derivatives I and II were found to be effective inhibitors of Escherichia coli PDHc-E1 with antibacterial and antifungal activity.Electric Literature of C6H9N3O

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

Halogenation of pyrazoles using N-halosuccinimides in CCl₄ and in water was written by Zhao, Zhi-Gang;Wang, Zhong-Xia. And the article was included in Synthetic Communications in 2007.HPLC of Formula: 15953-73-8 This article mentions the following:

Reaction of pyrazoles with N-halosuccinimides (NXS, X = Br, Cl) in either CCl₄ or water gave 4-halopyrazoles in excellent yields. The reaction was carried out under mild conditions and did not require any catalysts or special precautions. The reaction provides an efficient method for C(4) halogenation of pyrazoles. In the experiment, the researchers used many compounds, for example, 4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8HPLC of Formula: 15953-73-8).

4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8) belongs to pyrazole derivatives. 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. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.HPLC of Formula: 15953-73-8

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

Novel synthesis of new 5,7-disubstituted-2-alkyl/arylamino-4H-pyrazolo[4,5-e][1,3,4]thiadiazines and 4,6-disubstituted-3-amino/anilino-2-alkyl/aryliminopyrazolo[3,4-d]thiazolines was written by Chande, Madhukar S.;Joshi, Rajesh D.. And the article was included in Indian Journal of Chemistry in 1995.Recommanded Product: 51395-52-9 This article mentions the following:

The title compounds have been prepared by reaction of substituted 4-bromopyrazolin-5-ones with thiosemicarbazides. An alternate unambiguous synthesis of pyrazolo[3,4-d]thiazolines has been described. In the experiment, the researchers used many compounds, for example, 4-Bromo-3-methyl-1H-pyrazol-5(4H)-one (cas: 51395-52-9Recommanded Product: 51395-52-9).

4-Bromo-3-methyl-1H-pyrazol-5(4H)-one (cas: 51395-52-9) belongs to pyrazole derivatives. Pyrazole has two ring nitrogen atoms in which N1 is pyrrolic and N2 is pyridine-like. The N1 nitrogen is not reactive but is deprotonated in the presence of a base-forming anion. The presence of both electronegative nitrogen atoms in the pyrazole ring reduces the electron density of the C3- and C5-positions leaving electron density of C4-position unaltered. Thus the C4-position is vulnerable to electrophilic attack. The C3 electrophilic-position may undergo deprotonation in the presence of a strong base leading to ring opening.Recommanded Product: 51395-52-9

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

Metal pyrazolate polymers. Part 3. Synthesis and study of copper(I) and -(II) complexes of 4-Xdmpz (where X = H, Cl, Br, I, and CH₃ for Cu(I) and X = H, Cl, Br, and CH₃ for Cu(II); dmpz = 3,5-dimethylpyrazolate) was written by Ehlert, Martin K.;Storr, Alan;Thompson, Robert C.. And the article was included in Canadian Journal of Chemistry in 1992.Reference of 15953-73-8 This article mentions the following:

[Cu^I(4-Xdmpz)]₃ (X = H, Cl, Br, I, CH₃; Hdmpz = 3,5-dimethylpyrazole) and [Cu^II(4-Xdmpz)₂]_n (X = H, Cl, Br, CH₃) were synthesized and characterized. Qual. solubility, IR spectroscopic, and DSC studies are reported for all complexes. Mass spectra support trimeric formulations for the copper(I) complexes. Scanning electron micrographs and powder x-ray diffractograms were recorded for the copper(II) compounds Electronic and EPR spectroscopic studies as well as magnetic susceptibility studies from 2 to 300 K are also reported for the copper(II) compounds, which are proposed to have polymeric chain structures. The magnetic data reveal strong antiferromagnetic interactions in all four of the copper(II) compounds The data were analyzed employing an isotropic Heisenberg model for antiferromagnetic coupling in extended chain polymers. Values of the exchange coupling constant, J, are determined as -58, -61, -66, and -66 cm^-1 for the X = H, CH₃, Cl, and Br complexes resp. The X = Cl compound exhibits an abrupt decrease in magnetic susceptibility below 40 K and possible causes of this anomalous behavior are discussed. In the experiment, the researchers used many compounds, for example, 4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8Reference of 15953-73-8).

4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8) belongs to pyrazole derivatives. The strategies for the synthesis of pyrazoles generally can be applied for the construction of indazoles. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, antidiabetic and antibacterial activities.Reference of 15953-73-8

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

Optimization of physicochemical properties for 4-anilinoquinazoline inhibitors of trypanosome proliferation was written by Woodring, Jennifer L.;Bachovchin, Kelly A.;Brady, Kimberly G.;Gallerstein, Mitchell F.;Erath, Jessey;Tanghe, Scott;Leed, Susan E.;Rodriguez, Ana;Mensa-Wilmot, Kojo;Sciotti, Richard J.;Pollastri, Michael P.. And the article was included in European Journal of Medicinal Chemistry in 2017.Recommanded Product: 3528-58-3 This article mentions the following:

Human African trypanosomiasis (HAT) is a deadly disease in need of new chemotherapeutics that can cross into the central nervous system. The authors previously reported the discovery of (NEU-617), a small mol. with activity against T. brucei bloodstream proliferation. Further optimization of NEU-617 to improve the physicochem. properties (LogP, LLE, [1], and MPO score) [2] have led us to twelve sub-micromolar compounds, most importantly the headgroup variants I and II, and the linker variant III. Although these 3 compounds had reduced potency compared to NEU-617, they all had improved LogP, LLE and MPO scores. Cross-screening these analogs against other protozoan parasites uncovered IV with potent activity towards T. brucei, T. cruzi and L. major, while four others compounds showed activity towards P. falciparum D6. This reinforces the effectiveness of lead repurposing for the discovery of new protozoan disease therapeutics. In the experiment, the researchers used many compounds, for example, 1-Ethyl-1H-pyrazol-5-amine (cas: 3528-58-3Recommanded Product: 3528-58-3).

1-Ethyl-1H-pyrazol-5-amine (cas: 3528-58-3) belongs to pyrazole derivatives. As is the case with imidazoles, the pyrazole ring offers many opportunities to create new multiring systems that incorporate this heterocycle. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.Recommanded Product: 3528-58-3

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