Day: November 21, 2022

Baraldi, Pier Giovanni published the artcileSynthesis, antibacterial activity and structure-activity relationships of N-substituted 4-diazopyrazole-5-carboxamides. 2, Product Details of C7H10N2O2, the publication is Farmaco (1991), 46(11), 1337-50, database is CAplus and MEDLINE.

A series of 4-diazopyrazole-5-carboxamides were synthesized and their antibacterial activity against a number of Gram-neg. and Gram-pos. strains was tested. Some of the compounds were quite active and the whole set was allowed to further study the SAR of the class. Substituents in position 5 affect Gram-neg. and Gram-pos. activities via bulk and electronic properties resp.; position 3 mostly affects the Gram-neg. activity, while the presence of the charged diazo group in position 4 is crucial for both antibacterial activities.

Farmaco published new progress about 890590-91-7. 890590-91-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Carboxylic acid, name is 3-Isopropyl-1H-pyrazole-5-carboxylic acid, and the molecular formula is C7H10N2O2, Product Details of C7H10N2O2.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Pastor, Richard M. published the artcileDiscovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors, Related Products of pyrazoles-derivatives, the publication is Bioorganic & Medicinal Chemistry Letters (2014), 24(11), 2448-2452, database is CAplus and MEDLINE.

There is evidence that small mol. inhibitors of the nonreceptor tyrosine kinase ITK, a component of the T-cell receptor signaling cascade, could represent a novel asthma therapeutic class. Moreover, given the expected chronic dosing regimen of any asthma treatment, highly selective as well as potent inhibitors would be strongly preferred in any potential therapeutic. Here the authors report hit-to-lead optimization of a series of indazoles, e.g. I [R = Et, HOCH₂, Me₂NCH₂CH₂, etc.] that demonstrate sub-nanomolar inhibitory potency against ITK with strong cellular activity and good kinase selectivity. The authors also elucidate the binding mode of these inhibitors by solving the x-ray crystal structures of the complexes.

Bioorganic & Medicinal Chemistry Letters published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C3H5BN2O2, Related Products of pyrazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Bagal, Sharan K. published the artcileDiscovery and Optimization of Selective Na_v1.8 Modulator Series That Demonstrate Efficacy in Preclinical Models of Pain, Product Details of C4H6N2, the publication is ACS Medicinal Chemistry Letters (2015), 6(6), 650-654, database is CAplus and MEDLINE.

Voltage-gated sodium channels, in particular Na_v1.8, can be targeted for the treatment of neuropathic and inflammatory pain. Herein, we described the optimization of Na_v1.8 modulator series to deliver subtype selective, state, and use-dependent chem. matter that is efficacious in preclin. models of neuropathic and inflammatory pain.

ACS Medicinal Chemistry Letters published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Product Details of C4H6N2.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Pfeiffer, Wolf Diethard published the artcileSelective pyrazole synthesis by the means of ultrasonic radiation, Name: Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate, the publication is Zeitschrift fuer Chemie (1987), 27(8), 296-7, database is CAplus.

Pyrazoles I (R = NH₂, NHNH₂, NHMe, NHCHMe₂, NHCMe₃, NHPh, NHAc, NMe₂, Ph, Bz, SMe, R¹ = R² = Ph; R = NH₂, R¹ = CO₂Et, R² = Me) were prepared in 80-90% yields by ultrasonic radiation mediated selective desulfuration or deselenylation-ring contraction reaction of resp. 1,3,4-thiadiazines or 1,3,4-selenadiazines.

Zeitschrift fuer Chemie published new progress about 23286-70-6. 23286-70-6 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Amine,Ester, name is Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate, and the molecular formula is C7H11N3O2, Name: Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

van Herk, T. published the artcilePyrazole Derivatives as Partial Agonists for the Nicotinic Acid Receptor, Formula: C7H10N2O2, the publication is Journal of Medicinal Chemistry (2003), 46(18), 3945-3951, database is CAplus and MEDLINE.

Nicotinic acid as a hypolipidemic agent appears unique due to its potential to increase HDL cholesterol levels to a greater extent than other drugs. However, it has some side effects, among which severe skin flushing is the most frequent and often limits patients’ compliance. In a search for novel agonists for the recently identified and cloned G protein-coupled nicotinic acid receptor, we synthesized a series of substituted pyrazole-3-carboxylic acids that proved to have substantial affinity for this receptor. The affinities were measured by inhibition of [³H]nicotinic acid binding to rat spleen membranes. Potencies and intrinsic activities relative to nicotinic acid were determined by their effects on [³⁵S]GTPγS binding to rat adipocyte and spleen membranes. Interestingly, most compounds were partial agonists. In particular, 2-diazabicyclo[3,3,0^4,8]octa-3,8-diene-3-carboxylic acid (4c) and 5-propylpyrazole-3-carboxylic acid (4f) proved active with K_i values of approx. 0.15 μM and EC₅₀ values of approx. 6 μM, while their intrinsic activity was only ∼50% when compared to nicotinic acid. Even slightly more active was 5-butylpyrazole-3-carboxylic acid (4g) with a K_i value of 0.072 μM, an EC₅₀ value of 4.12 μM, and a relative intrinsic activity of 75%. Of the aralkyl derivatives, 4q (5-(3-chlorobenzyl)pyrazole-3-carboxylic acid) was the most active with a relatively low intrinsic activity of 39%. Partial agonism of the pyrazole derivatives was confirmed by inhibition of G protein activation in response to nicotinic acid by these compounds The pyrazoles both inhibited the maximum effect elicited by 100 μM nicotinic acid and concentration dependently shifted nicotinic acid concentration-response curves to the right, pointing to a competitive mechanism of action.

Journal of Medicinal Chemistry published new progress about 890590-91-7. 890590-91-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Carboxylic acid, name is 3-Isopropyl-1H-pyrazole-5-carboxylic acid, and the molecular formula is C11H10O, Formula: C7H10N2O2.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Reid, Paul R. published the artcileDiscovery and optimization of a novel, selective and brain penetrant M₁ positive allosteric modulator (PAM): The development of ML169, an MLPCN probe, Recommanded Product: 1H-Pyrazole-4-boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2011), 21(9), 2697-2701, database is CAplus and MEDLINE.

This Letter describes a chem. lead optimization campaign directed at VU0108370, a weak M₁ PAM hit with a novel chem. scaffold from a functional HTS screen within the MLPCN. An iterative parallel synthesis approach rapidly established SAR for this series and afforded VU0405652 (ML169) (I), a potent, selective and brain penetrant M₁ PAM with an in vitro profile comparable to the prototypical M₁ PAM, BQCA, but with an improved brain to plasma ratio.

Bioorganic & Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, Recommanded Product: 1H-Pyrazole-4-boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Reilly, Sean W. published the artcile1,4-Addition of aryl boronic acids to α,β-unsaturated ketones catalyzed by a CCC-NHC pincer rhodium complex, Category: pyrazoles-derivatives, the publication is Tetrahedron Letters (2014), 55(49), 6738-6742, database is CAplus.

An air- and water-stable CCC-NHC pincer Rh complex catalyzed the 1,4-addition of aryl boronic acids to α,β-unsaturated ketones and aldehydes. This bench top method proceeds in eco-friendly solvents including methanol and water. The scope of boronic acids was expanded to include heterocyclic examples.

Tetrahedron Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, Category: pyrazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Brzyska, Agnieszka published the artcileSolvent effects on the nitrogen NMR chemical shifts in 1-methylazoles – a theoretical study, Application of 1-Methylpyrazole, the publication is New Journal of Chemistry (2015), 39(12), 9627-9640, database is CAplus.

We have investigated solvent effect on the nitrogen chem. shifts in a series of 1-methylazoles. The detailed results for 1-methylazoles – systems containing one (1-methylpyrrole), two (diazoles), three (triazoles) and four (tetrazoles) nitrogen atoms in the heteroaromatic ring – have been presented. We have examined twenty six popular DFT functionals to calculate the nitrogen magnetic shielding constants in the gas phase and 12 different solvents within the conductor-like screening model (COSMO) and the explicit solvation model (ESM), as well as their combination (ESM + COSMO) in the case of water solutions The vibrational corrections for the analyzed systems have been also reported. Addnl., the solvent effect on the nitrogen chem. shifts has been analyzed in terms of its direct and indirect contributions. Our theor. vibrationally corrected results properly reproduce the exptl. data. In the calculations of N NMR chem. shifts, the best results were achieved with the B97-2 functional with the mean absolute error as small as 3 ppm for a range exceeding 270 ppm in the tested azole systems.

New Journal of Chemistry published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Application of 1-Methylpyrazole.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Pereyaslova, D. G. published the artcileOrganic luminophors of the pyrazoline series – luminescent constituents of fluorescent pigments, Application of 4-(5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide, the publication is Ukrainskii Khimicheskii Zhurnal (Russian Edition) (1979), 45(6), 553-6, database is CAplus.

The addition of 3-(4-difluoromethylsulfonylphenyl)-1,5-diphenyl-Δ²-pyrazoline (I) [61102-38-3] to aminosulfonyltoluene-formaldehyde-melamine copolymer (II) [39277-28-6] gave a bright yellow fluorescent pigment with strong light absorption at 564 nm. When I and Rhodamine S [12627-64-4] were added to II the resulting orange-red pigment absorbed strongly at 609 nm. Similarly, a green fluorescent pigment was obtained by adding 1,4-bis[1,5-diphenyl-Δ²-3-pyrazolinyl]benzene [71203-34-4] and Direct Lightfast Turquoise K [50642-57-4] to II. Other shades of pigments were prepared by adding 1-(4-difluoromethylsulfonylphenyl)-3,5-diphenyl-Δ²-pyrazoline [61102-37-2], or pyrazoline sulfonate III, X = H, H₂NSO₂, or C₁₇H₃₅CONHSO₂ (IV) to II. The synthesis of III (X = H) or III (X = H₂NSO₂) involved reacting sulfonated 4-methoxybenzalacetophenone with PhN:NH [100-63-0] or 4-H₂NSO₂C₆H₄N:NH [4392-54-5], resp. Refluxing III (X = H₂NSO₂) with stearic chloride [112-76-5] gave IV.

Ukrainskii Khimicheskii Zhurnal (Russian Edition) published new progress about 71203-35-5. 71203-35-5 belongs to pyrazoles-derivatives, auxiliary class GPCR/G Protein,Ras, name is 4-(5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide, and the molecular formula is C22H21N3O3S, Application of 4-(5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Ochiana, Stefan O. published the artcileRepurposing Human PDE4 Inhibitors for Neglected Tropical Diseases. Evaluation of Analogs of the Human PDE4 Inhibitor GSK-256066 as Inhibitors of PDEB1 of Trypanosoma brucei, COA of Formula: C3H5BN2O2, the publication is Chemical Biology & Drug Design (2015), 85(5), 549-564, database is CAplus and MEDLINE.

Cyclic nucleotide phosphodiesterases (PDEs) have been identified as important enzyme targets for drug development in both humans and Trypanosoma brucei, the causative agent of human African trypanosomiasis. With this in mind, the authors recently reported the profiling of a range of human phosphodiesterase inhibitors, showing that human PDE4 inhibitors tend to display the best potency against the trypanosomal phosphodiesterase TbrPDEB1. Among these was GSK-256066, a potent inhibitor of human PDE4 and a weak inhibitor of TbrPDEB1. In this report, the authors describe the results of a structure-activity relationship study of this chemotype, leading to the discovery of analogs with improved potency against TbrPDEB1 and micromolar inhibition of T. brucei cellular growth. The authors rationalize the potency trends via mol. docking of the new inhibitors into a recently reported apo structure of TbrPDEB1. The studies in this article will inform future efforts in repurposing human PDE inhibitors as antitrypanosomal agents.

Chemical Biology & Drug Design published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, COA of Formula: C3H5BN2O2.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics