Month: December 2022

Pham, Thanh Truc published the artcileNovel 1,2-dihydroquinazolin-2-ones: Design, synthesis, and biological evaluation against Trypanosoma brucei, Category: pyrazoles-derivatives, the publication is Bioorganic & Medicinal Chemistry Letters (2017), 27(16), 3629-3635, database is CAplus and MEDLINE.

In 2014, a published report of the high-throughput screen of >42,000 kinase inhibitors from GlaxoSmithKline against T. brucei identified 797 potent and selective hits. From this rich data set, the authors selected NEU-<0001101≥(1) for hit-to-lead optimization. Through the authors’ preliminary compound synthesis and SAR studies, the authors confirmed the previously reported activity of 4-phenyl-6-(pyridin-4-yl)quinazolin-2(1H)-one in a T. brucei cell proliferation assay and have identified alternative groups to replace the pyridyl ring in 4-phenyl-6-(pyridin-4-yl)quinazolin-2(1H)-one. Pyrazole 24 achieves improvements in both potency and lipophilicity relative to 4-phenyl-6-(pyridin-4-yl)quinazolin-2(1H)-one , while also showing good in vitro metabolic stability. The SAR developed on 24 provides new directions for further optimization of this novel scaffold for anti-trypanosomal drug discovery.

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, Category: pyrazoles-derivatives.

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

Pham, Thanh Truc published the artcileNovel 1,2-dihydroquinazolin-2-ones: Design, synthesis, and biological evaluation against Trypanosoma brucei, Name: (1H-Pyrazol-5-yl)boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2017), 27(16), 3629-3635, database is CAplus and MEDLINE.

In 2014, a published report of the high-throughput screen of >42,000 kinase inhibitors from GlaxoSmithKline against T. brucei identified 797 potent and selective hits. From this rich data set, the authors selected NEU-<0001101≥(1) for hit-to-lead optimization. Through the authors’ preliminary compound synthesis and SAR studies, the authors confirmed the previously reported activity of 4-phenyl-6-(pyridin-4-yl)quinazolin-2(1H)-one in a T. brucei cell proliferation assay and have identified alternative groups to replace the pyridyl ring in 4-phenyl-6-(pyridin-4-yl)quinazolin-2(1H)-one. Pyrazole 24 achieves improvements in both potency and lipophilicity relative to 4-phenyl-6-(pyridin-4-yl)quinazolin-2(1H)-one , while also showing good in vitro metabolic stability. The SAR developed on 24 provides new directions for further optimization of this novel scaffold for anti-trypanosomal drug discovery.

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, Name: (1H-Pyrazol-5-yl)boronic acid.

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

Bardhan, Sujata published the artcileHeteroaryl ethers by oxidative palladium catalysis of pyridotriazol-1-yloxy pyrimidines with arylboronic acids, Formula: C3H5BN2O2, the publication is Organic Letters (2009), 11(12), 2511-2514, database is CAplus and MEDLINE.

The oxidative palladium-catalyzed cross-coupling of pyrimidines containing pyridotriazol-1-yloxy (OPt) as either a urea or an amide functional group with arylboronic acids in the presence of Cs₂CO₃ in DME containing 0.6-1.0% H₂O is described for the preparation of heteroaryl ethers. The bromo substitution in the case of 3-(5-bromo-pyrimidin-2-yloxy)-3H-[1,2,3]triazolo[4,5-b]pyridine could serve as a handle for further elaborations such as Suzuki coupling for attaching varied aryl groups.

Organic 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, Formula: C3H5BN2O2.

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

Giordanetto, Fabrizio published the artcileDiscovery of phosphoinositide 3-kinases (PI3K) p110β isoform inhibitor 4-[2-hydroxyethyl(1-naphthylmethyl)amino]-6-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-2-one, an effective antithrombotic agent without associated bleeding and insulin resistance, Application of 1H-Pyrazole-4-boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2012), 22(21), 6671-6676, database is CAplus and MEDLINE.

Structure-based evolution of the original fragment leads resulted in the identification of 4-[2-hydroxyethyl(1-naphthylmethyl)amino]-6-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-2-one, (S)-21, a potent, selective phosphoinositide 3-kinases (PI3K) p110β isoform inhibitor with favorable in vivo antiplatelet effect. Despite its antiplatelet action, (S)-21 did not significantly increase bleeding time in dogs. Addnl., due to its enhanced selectivity over p110α, (S)-21 did not induce any insulin resistance in rats.

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, Application of 1H-Pyrazole-4-boronic acid.

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

Mir, J. M. published the artcileQuinoline and pyrazolone functionalized cis-dioxomolybdenum(VI) complexes: synthesis, hyphenated experimental-DFT studies and bactericidal implications, Quality Control of 4551-69-3, the publication is Journal of Coordination Chemistry (2018), 71(23), 3860-3873, database is CAplus.

Mixed-ligand complexes of dioxomolybdenum(VI) [MoO₂(L)(8-hq)(H₂O)], where 8-hq = 8-hydroxyquinoline and LH = 4-acylpyrazolones viz., 3-methyl-1-phenyl-4-propionyl-2-pyrazolin-5-one (pmphpH), 4-butyryl-3-methyl-1-phenyl-2-pyrazolin-5-one (bumphpH), 4-iso-butyryl-3-methyl-1-phenyl-2-pyrazolin-5-one (iso-bumphpH) or 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one (bmphpH) were synthesized by the reaction of [MoO₂(acac)₂] and the target ligands in EtOH medium. The complexes have been characterized by elemental analyses, decomposition temperature, molar conductance, magnetic susceptibility, thermogravimetric studies, FTIR, UV-visible, ¹H NMR, ¹³C NMR, and FAB mass spectral studies. The thermal decomposition processes of complex cis-[MoO₂(iso-bumphp)(8-hq)(H₂O)] is discussed with the evaluation of the order of reaction (n) and the activation energy (E_a) calculated from the thermogravimetric (TG) curve. Antibacterial study of one of the complexes at various dilutions also was carried in comparison with the ligands and metal precursor using ampicillin as a standard drug. Gaussian 09 software package was employed to carry out the theor. study using d. functional theory DFT/B3LYP level of theory under LANL2MB (for Mo)/6-311 + G (for nonmetallic elements) basis set for one of the complexes, cis-[MoO₂(bmphp)(8-hq)(H₂O)]. Based on exptl. and theor. data, suitable pseudo pentagonal bipyramidal structures are proposed for this class of metal complexes.

Journal of Coordination Chemistry published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Quality Control of 4551-69-3.

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

Kumari, N. published the artcileExtractant mediated nano-aggregate formation in Triton X-114 aided cloud formation: structural insights from TEM and SANS studies, Formula: C17H14N2O2, the publication is RSC Advances (2015), 5(116), 95613-95617, database is CAplus.

Nanoaggregate formation by self assembly was noticed during the cloud formation of Triton X-114 ((1,1,3,3-tetramethylbutyl)phenyl-polyethylene glycol) in the presence of dibenzoylmethane (DBM), thenoyltrifluoroacetone (HTTA) and 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (PMBP) and tri-Bu phosphate (TBP). Transmission Electron Microscopy (TEM) measurements showed that the nature of the extractant influences the clouding behavior of Triton X-114 and the formation of vesicles of different orientations. SANS studies suggested that the majority of Triton X 114 participated in the cloud formation process. Viscosity measurements at different temperatures were used to calculate the activation energy for viscous flow.

RSC Advances published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Formula: C17H14N2O2.

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

Patel, Rashmi B. published the artcileSynthesis of Metal Catalysts from Industrial Waste Effluents and its Catalytic Application in Biginelli Reaction, Safety of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Current Organocatalysis (2016), 3(3), 270-276, database is CAplus.

Background: Industries are using various metals containing salts, for various purposes. However, some amount of metal salts is leached, which creates environmental pollution. Removal of these pollutants is essential. Various groups are working to remove them by different techniques, but here we have applied simple techniques to extract and then these materials are used as a catalyst for the synthesis of organic compounds Presently, as per our knowledge, this type of approach is adopted by us. Method: The ligand pyrazole-thiosemicarbazide was prepared by green chem. method, which was well characterized by various anal. techniques. This ligand is used for the extraction of various salts of metal from the effluent. The metal salts are converted into metal complexes. The metal complexes from the waste are used for the preparation of important biol. active derivatives Results: The ligand extracts the metals very fast. We have also studied the metal – ligand ratio and found that it is 1:1. These complexes are used as a catalyst for Biginalli reaction and in the presence of the catalysts the reaction is faster as compared to the absence of a catalyst. Conclusion: Based on a study we conclude that the ligand can work efficiently for the extraction of metal from the waste water. The formed complexes are the efficient catalysts for the preparation of dihydropyrimidines and its recycle and reuse.

Current Organocatalysis published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Safety of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one.

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

Caldwell, John J. published the artcileDesign and synthesis of 2(1H)-pyrazinones as inhibitors of protein kinases, Category: pyrazoles-derivatives, the publication is Tetrahedron (2012), 68(47), 9713-9728, database is CAplus.

Kinase enzymes play a key role in the development and progression of cancer. Inhibitors of deregulated kinases are effective small mol. anticancer drugs. The 2(1H)-pyrazinone heterocycle is a previously unexploited motif that can fulfil the structural requirements for ATP-competitive inhibition of kinases. Rapid solution-phase syntheses of novel 3,5- and 3,6-disubstituted-2(1H)-pyrazinones were developed through selective, sequential substitution of 2,5-dihalo-3-benzyloxypyrazine and 3,5-dihalo-2(1H)-pyrazinone intermediates. Palladium-catalyzed cross-couplings and S_NAr reactions were used to introduce substituents chosen on the basis of the calculated physicochem. properties of the target pyrazinones. Representative compounds, e.g., I, demonstrated good solubility, kinase inhibitory activity and antiproliferative activity in human tumor cells, confirming the suitability of this chem. class as a kinase-focused library.

Tetrahedron 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

Caldwell, John J. published the artcileDesign and synthesis of 2(1H)-pyrazinones as inhibitors of protein kinases, Category: pyrazoles-derivatives, the publication is Tetrahedron (2012), 68(47), 9713-9728, database is CAplus.

Kinase enzymes play a key role in the development and progression of cancer. Inhibitors of deregulated kinases are effective small mol. anticancer drugs. The 2(1H)-pyrazinone heterocycle is a previously unexploited motif that can fulfil the structural requirements for ATP-competitive inhibition of kinases. Rapid solution-phase syntheses of novel 3,5- and 3,6-disubstituted-2(1H)-pyrazinones were developed through selective, sequential substitution of 2,5-dihalo-3-benzyloxypyrazine and 3,5-dihalo-2(1H)-pyrazinone intermediates. Palladium-catalyzed cross-couplings and S_NAr reactions were used to introduce substituents chosen on the basis of the calculated physicochem. properties of the target pyrazinones. Representative compounds, e.g., I, demonstrated good solubility, kinase inhibitory activity and antiproliferative activity in human tumor cells, confirming the suitability of this chem. class as a kinase-focused library.

Tetrahedron 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, Category: pyrazoles-derivatives.

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

Atanassova, Maria published the artcileCoordination chemistry of a para-tert-octylcalix[4]arene fitted with phosphinoyl pendant arms towards 4f-elements: Extraction, synergism, separation, Recommanded Product: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Separation Science and Technology (Philadelphia, PA, United States) (2016), 51(1), 49-56, database is CAplus.

The solvent extraction of trivalent lanthanoids (Ln³⁺) by 5,11,17,23-tetra(para-tert-octyl)-25,26,27,28-tetrakis(dimethylphosphinoylmethoxy)calix[4]arene (S), bearing four phosphine oxide donor groups at the lower rim as synergistic agent in combination with a 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one (HP) in CHCl₃ from chloride medium at μ = 0.1 was quant. described in the form of LnP₃·S complexes. The role of the synergistic agent on the extraction process was discussed. The values of the separation factors have been evaluated. On the basis of the IR and NMR spectra the stoichiometry and the structure of the solid mixed complex of Eu(III) with HP and S were proposed.

Separation Science and Technology (Philadelphia, PA, United States) published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Recommanded Product: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one.

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