Day: November 21, 2022

Le, Phuong T. published the artcileDesign and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kα and mTOR, Computed Properties of 763120-58-7, the publication is Bioorganic & Medicinal Chemistry Letters (2012), 22(15), 5098-5103, database is CAplus and MEDLINE.

Lead optimization efforts that employed structure base drug design and physicochem. property based optimization leading to the discovery of a novel series of 4-methylpyrido pyrimidinone (MPP) are discussed. Synthesis and profile of I, a PI3Kα/mTOR dual inhibitor, is highlighted.

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, Computed Properties of 763120-58-7.

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

Song, Fu-Qiang published the artcileConstruction of enhanced fluorescence sensors in aqueous media by cation regulation and hybridization, HPLC of Formula: 4551-69-3, the publication is Journal of Luminescence (2021), 118338, database is CAplus.

For sensing application, a salicylacylhydrazone (H₂L) with multiple binding sites which was condensed by salicylhydrazide and 4-acylpyrazolone, H₂L = 4-Benzoyl-3-methyl-l-phenyl-5-pyrazolone-benzoic acid hydrazide was prepared Fluorescence studies indicate that H₂L could be used as turn-on sensors to distinguish between Cd²⁺ and Zn²⁺ in Hepes buffer solution (pH = 6.8) and the origin of the specificity of the fluorescence recognition was disclosed through 1H NMR spectra, UV-Vis spectra, ESI mass spectra, X-ray single crystal diffraction and DFT calculations H2L test silica sheets were further prepared to offer easy and real-time detection of Cd²⁺ and Zn²⁺ ions. Furthermore, the in situ system generated from the sensing of Zn²⁺ and Cd²⁺ (ZnHL and CdHL) showed good relay recognition ability for picric acid (PA) via fluorescence quenching. The recognition mechanism of PA could be attributed to the multi-quenching mechanism dominated by the competitive absorption with PET effect and hydrogen bond being assistance when d. functional theory calculations and multiple exptl. evidences, including ESI mass spectrum, 1H NMR spectra as well as UV-Vis absorption are combined. To enhance their sensing ability together with the convenience of detection, the hybrid films of ZnHL@PMMA and CdHL@PMMA are prepared by doping them to polymethyl methacrylate (PMMA) matrix to improve their fluorescence performance, chem. stability, sensitivity, cheapness and quickness.

Journal of Luminescence 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 C8H7NaO4S, HPLC of Formula: 4551-69-3.

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

Huang, Xiaohua published the artcileDiscovery of a Novel Series of CHK1 Kinase Inhibitors with a Distinctive Hinge Binding Mode, Quality Control of 763120-58-7, the publication is ACS Medicinal Chemistry Letters (2012), 3(2), 123-128, database is CAplus and MEDLINE.

A novel series of CHK1 inhibitors with a distinctive hinge binding mode, exemplified by 2-aryl-N-(2-(piperazin-1-yl)phenyl)thiazole-4-carboxamide, was discovered through high-throughput screening using the affinity selection-mass spectrometry (AS-MS)-based Automated Ligand Identification System (ALIS) platform. Structure-based ligand design and optimization led to significant improvements in potency to the single digit nanomolar range and hundred-fold selectivity against CDK2.

ACS 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, Quality Control of 763120-58-7.

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

Huang, Xiaohua published the artcileDiscovery of a Novel Series of CHK1 Kinase Inhibitors with a Distinctive Hinge Binding Mode, Application of (1H-Pyrazol-5-yl)boronic acid, the publication is ACS Medicinal Chemistry Letters (2012), 3(2), 123-128, database is CAplus and MEDLINE.

A novel series of CHK1 inhibitors with a distinctive hinge binding mode, exemplified by 2-aryl-N-(2-(piperazin-1-yl)phenyl)thiazole-4-carboxamide, was discovered through high-throughput screening using the affinity selection-mass spectrometry (AS-MS)-based Automated Ligand Identification System (ALIS) platform. Structure-based ligand design and optimization led to significant improvements in potency to the single digit nanomolar range and hundred-fold selectivity against CDK2.

ACS 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, Application of (1H-Pyrazol-5-yl)boronic acid.

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

Liu, Chong-Bo published the artcileSyntheses, Characterization, and Antibacterial Activities of Four New Schiff Base Compounds Derived from 1-Phenyl-3-methyl-4-benzoyl-2-pyrazolin-5-one, Product Details of C17H14N2O2, the publication is Journal of Heterocyclic Chemistry (2012), 49(4), 839-844, database is CAplus.

Four new Schiff bases were designed and synthesized. 5-Methyl-4-(4-aminophenylamino-phenyl-methylene)-2-phenyl-2,4-dihydro-pyrazol-3-one (compound 1) and 5-methyl-4-(2-aminophenylamino-phenyl-methylene)-2-phenyl-2,4-dihydro-pyrazol-3-one (compound 2) were synthesized by interaction of 1-phenyl-3-methyl-4-benzoyl-2-pyrazolin-5-one (PMBP) with o- and p-phenylenediamine, resp.; 4,4′-(1,2-phenylenebis(azanediyl)bis(phenylmethanylylidene))bis(3-methyl-1-phenyl-1H-pyrazol-5(4H)-one) (compound 3) and 5-methyl-4-(phenyl(2-((3-phenylallylidene)amino)phenylamino)methylene)-2-phenyl-2,4-dihydro-pyrazol-3-one (compound 4) were synthesized by interaction of compound 2 with PMBP and cinnamaldehyde in an ethanolic medium, resp. The mol. structures of the title compounds were first characterized by single-crystal X-ray diffraction, mass spectrometry, and elemental anal. The title compounds were tested for antibacterial activity (Escherichia coli, Staphylococcus aureus, and Bacillus subtilis) by disk diffusion method.

Journal of Heterocyclic 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, Product Details of C17H14N2O2.

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

Bi, Xiaoyang published the artcileStructure-based drug optimization and biological evaluation of tetrahydroquinolin derivatives as selective and potent CBP bromodomain inhibitors, Category: pyrazoles-derivatives, the publication is Bioorganic & Medicinal Chemistry Letters (2020), 30(22), 127480, database is CAplus and MEDLINE.

CBP bromodomain could recognize acetylated lysine and function as transcription coactivator to regulate transcription and downstream gene expression. Furthermore, CBP has been shown to be related to many human malignancies including acute myeloid leukemia. Herein, we identified DC-CPin734 as a potent CBP bromodomain inhibitor with a TR-FRET IC₅₀ value of 19.5 ± 1.1 nM and over 400-fold of selectivity against BRD4 bromodomains through structure based rational drug design guided iterative chem. modification endeavoring to discover optimal tail-substituted tetrahydroquinolin derivatives Moreover, DC-CPin734 showed potent inhibitory activity to AML cell line MV4-11 with an IC₅₀ value of 0.55 ± 0.04μM, and its cellular on-target effects were further evidenced by c-Myc downregulation results. In summary, DC-CPin734 showing good potency, selectivity and anti AML activity could serve as a potent and selective in vitro and in vivo probe of CBP bromodomain and a promising lead compound for future drug development.

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

Bi, Xiaoyang published the artcileStructure-based drug optimization and biological evaluation of tetrahydroquinolin derivatives as selective and potent CBP bromodomain inhibitors, Recommanded Product: (1H-Pyrazol-5-yl)boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2020), 30(22), 127480, database is CAplus and MEDLINE.

CBP bromodomain could recognize acetylated lysine and function as transcription coactivator to regulate transcription and downstream gene expression. Furthermore, CBP has been shown to be related to many human malignancies including acute myeloid leukemia. Herein, we identified DC-CPin734 as a potent CBP bromodomain inhibitor with a TR-FRET IC₅₀ value of 19.5 ± 1.1 nM and over 400-fold of selectivity against BRD4 bromodomains through structure based rational drug design guided iterative chem. modification endeavoring to discover optimal tail-substituted tetrahydroquinolin derivatives Moreover, DC-CPin734 showed potent inhibitory activity to AML cell line MV4-11 with an IC₅₀ value of 0.55 ± 0.04μM, and its cellular on-target effects were further evidenced by c-Myc downregulation results. In summary, DC-CPin734 showing good potency, selectivity and anti AML activity could serve as a potent and selective in vitro and in vivo probe of CBP bromodomain and a promising lead compound for future drug development.

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

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

Dong, Daoqing published the artcileDirect synthesis of sulfonated or sulfenylated pyrazolones mediated by KIO₃ and their anti-microbial activity, Quality Control of 14580-22-4, the publication is Youji Huaxue (2019), 39(11), 3190-3198, database is CAplus.

A facile and efficient method for the synthesis of sulfonated or sulfenylated pyrazolones catalyzed by KIO₃ was established. A variety of desired products were obtained in moderate to high yields. This methodol. was conducted under mild reaction conditions without requiring any metal. Control experiments showed that the mechanism of this reaction was different from previous KIO₃-catalyzed reactions. Some of these desired products showed high inhibitory activity against V. mali and B. cinerea.

Youji Huaxue published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, Quality Control of 14580-22-4.

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

Mahajan, Suruchi published the artcileEnantioselective synthesis of pyrazolone α-aminonitrile derivatives via an organocatalytic Strecker reaction, COA of Formula: C10H9ClN2O, the publication is Chemical Communications (Cambridge, United Kingdom) (2017), 53(49), 6633-6636, database is CAplus and MEDLINE.

A new organocatalytic enantioselective Strecker reaction of pyrazolone-derived ketimine electrophiles was developed. Using pseudo-enantiomeric squaramide catalysts the nucleophilic 1,2-addition of trimethylsilyl cyanide to the ketimines efficiently provided a direct entry to both enantiomers of pyrazolone α-aminonitrile derivatives at will in good yields and high enantioselectivities for a wide variety of substrates.

Chemical Communications (Cambridge, United Kingdom) published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, COA of Formula: C10H9ClN2O.

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

Hack, Daniel published the artcileCombining silver- and organocatalysis: an enantioselective sequential catalytic approach towards pyrano-annulated pyrazoles, Name: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is Chemical Communications (Cambridge, United Kingdom) (2015), 51(12), 2266-2269, database is CAplus and MEDLINE.

A one-pot asym. Michael addition/hydroalkoxylation sequence, catalyzed by a sequential catalytic system consisting of a squaramide and a silver salt, provides a new series of chiral pyrano-annulated pyrazole derivatives, e.g., I, in excellent yields (up to 95%) and high enantioselectivities (up to 97% ee).

Chemical Communications (Cambridge, United Kingdom) published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, Name: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone.

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