Day: October 17, 2022

Elston, C.; Holmes, D. E.; Moorthy, P. N.; Pleticha-Lansky, R. published the artcile< Effects of γ-radiation on alloxantin. Polarographic, oscillopolarographic, and electron spin resonance studies>, Computed Properties of 2244-11-3, the main research area is alloxantin irradiation ESR.

Polarographic and oscillopolarographic investigation of the effects of γ-radiation on an aqueous solution of alloxantin showed the formation of alloxan, parabanic acid, and oxaluric acid. In addition an unidentified product X was observed, exhibiting cathodic wave at E1/2≈-1 V on polarography in acetate buffer of pH 3.6. This product is due probably to a higher oxidation state of alloxan and undergoes polarographic reduction at more neg. potentials than parabanic acid. ESR signals have been observed in γ-irradiated polycrystalline alloxantin-dihydrate, alloxan-monohydrate, dialuric acid, and parabanic acid. The G-values for the formation of the radicals responsible for these signals were determined Signals were also observed from organic free radicals formed through the reactions of electrons induced in irradiated H2SO4 ices containing alloxantin and alloxan.

International Journal for Radiation Physics and Chemistry published new progress about ESR (electron spin resonance). 2244-11-3 belongs to class pyrimidines, and the molecular formula is C4H4N2O5, Computed Properties of 2244-11-3.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

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. published the artcile< Corrigendum to ""Optimization of physicochemical properties for 4-Anilinoquinazoline inhibitors of trypanosome proliferation"" [Eur. J. Med. Chem. 141 (2017) 446-459] [Erratum to document cited in CA167:595582]>, Recommanded Product: 2,4-Dibromopyrimidine, the main research area is anilinoquinazoline trypanosome inhibitor antimalarial malaria trypanosomiasis trypanosomicide erratum.

In the original publication, the acknowledgments section has information omitted; the correction is provided here.

European Journal of Medicinal Chemistry published new progress about Antimalarials. 3921-01-5 belongs to class pyrimidines, and the molecular formula is C4H2Br2N2, Recommanded Product: 2,4-Dibromopyrimidine.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Kamada, Yusuke; Sakai, Nozomu; Sogabe, Satoshi; Ida, Koh; Oki, Hideyuki; Sakamoto, Kotaro; Lane, Weston; Snell, Gyorgy; Iida, Motoo; Imaeda, Yasuhiro; Sakamoto, Junichi; Matsui, Junji published the artcile< Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach>, Safety of 4,5-Dichloropyrimidine, the main research area is drug screening lymphoma protein interaction inhibitor.

B-cell lymphoma 6 (BCL6) is a transcriptional factor that expresses in lymphocytes and regulates the differentiation and proliferation of lymphocytes. Therefore, BCL6 is a therapeutic target for autoimmune diseases and cancer treatment. This report presents the discovery of BCL6-corepressor interaction inhibitors by using a biophysics-driven fragment-based approach. Using the surface plasmon resonance (SPR)-based fragment screening, we successfully identified fragment 1 (SPR KD = 1200 μM, ligand efficiency (LE) = 0.28), a competitive binder to the natural ligand BCoR peptide. Moreover, we elaborated 1 into the more potent compound 7 (SPR KD = 0.078 μM, LE = 0.37, cell-free protein-protein interaction (PPI) IC50 = 0.48 μM (ELISA), cellular PPI IC50 = 8.6 μM (M2H)) by a structure-based design and structural integration with a second high-throughput screening hit.

Journal of Medicinal Chemistry published new progress about Antitumor agents (potential). 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, Safety of 4,5-Dichloropyrimidine.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Khamrai, Jagadish; Ghosh, Indrajit; Savateev, Aleksandr; Antonietti, Markus; Koenig, Burkhard published the artcile< Photo-Ni-Dual-Catalytic C(sp2)-C(sp3) Cross-Coupling Reactions with Mesoporous Graphitic Carbon Nitride as a Heterogeneous Organic Semiconductor Photocatalyst>, Related Products of 89793-12-4, the main research area is cross coupling reaction photocatalyst organic semiconductor nickel carbon nitride.

The synergistic combination of a heterogeneous organic semiconductor mesoporous graphitic carbon nitride (mpg-CN) and a homogeneous nickel catalyst with visible-light irradiation at room temperature affords the C(sp2)-C(sp3) cross-coupling of aryl halides and potassium alkyl trifluoroborates by single electron transmetallation. Like the homogeneously catalyzed protocol, the reaction is compatible with a variety of functional groups including electron-donating and electron-withdrawing aryl and heteroaryl moieties. Moreover, this protocol allows the installation of allyl groups onto (hetero)arenes, enlarging the scope of the method. The heterogeneous mpg-CN photocatalyst is easily recovered from the reaction mixture and reused several times, paving the way for larger-scale industrial applications of this type of photocatalytic bond-forming reactions.

ACS Catalysis published new progress about Cross-coupling reaction catalysts. 89793-12-4 belongs to class pyrimidines, and the molecular formula is C7H7ClN2O2, Related Products of 89793-12-4.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Li, Jian-Yuan; Miklossy, Gabriella; Modukuri, Ram K.; Bohren, Kurt M.; Yu, Zhifeng; Palaniappan, Murugesan; Faver, John C.; Riehle, Kevin; Matzuk, Martin M.; Simmons, Nicholas published the artcile< Palladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis>, Application of C5H4Cl2N2O, the main research area is palladium catalyzed hydroxycarbonylation heteroaryl halide DNA encoded library synthesis.

A strategy for DNA-compatible, palladium-catalyzed hydroxycarbonylation of (hetero)aryl halides on DNA-chem. conjugates has been developed. This method generally provided the corresponding carboxylic acids in moderate to very good conversions for (hetero)aryl iodides and bromides, and in poor to moderate conversions for (hetero)aryl chlorides. These conditions were further validated by application within a DNA-encoded chem. library synthesis and subsequent discovery of enriched features from the library in selection experiments against two protein targets.

Bioconjugate Chemistry published new progress about Carbonylation. 5018-38-2 belongs to class pyrimidines, and the molecular formula is C5H4Cl2N2O, Application of C5H4Cl2N2O.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Prier, Christopher K.; MacMillan, David W. C. published the artcile< Amine α-heteroarylation via photoredox catalysis: a homolytic aromatic substitution pathway>, Related Products of 89793-12-4, the main research area is alpha heteroaryl amine regioselective preparation photoredox; tertiary amine heteroarene heteroarylation iridium.

The direct α-heteroarylation of tertiary amines has been accomplished via photoredox catalysis to generate valuable benzylic amine pharmacophores. A variety of five- and six-membered chloroheteroarenes are shown to function as viable coupling partners for the α-arylation of a diverse range of cyclic and acyclic amines. Evidence is provided for a homolytic aromatic substitution mechanism, in which a catalytically-generated α-amino radical undergoes direct addition to an electrophilic chloroarene.

Chemical Science published new progress about Aromatic heterocyclic amines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (α-). 89793-12-4 belongs to class pyrimidines, and the molecular formula is C7H7ClN2O2, Related Products of 89793-12-4.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Riederer, Heinz; Huettermann, Juergen; Symons, Martyn C. R. published the artcile< Matrix-isolation of free radicals from 5-halouracils. 2. Electron spin resonance of hydrogen atom reactions in acidic glasses>, Electric Literature of 4956-05-2, the main research area is hydrogen atom nucleic acid constituent; nucleoside hydrogen atom; nucleotide hydrogen atom; uracil hydrogen atom; ESR nucleic acid constituent; radical nucleic acid constituent.

The reaction of H· atoms produced in acidic glasses (H2SO4 and H3PO4) by radiolysis and photolysis with the nucleic acid constituents by uracil, thymine, and the row of 5-halo-substituted uracils as well as their nucleoside (nucleotide) derivatives and deoxyribose were studied by ESR spectroscopy. With the pyrimidines, addition at either site of the 5,6 double bond was the only reaction, the relative yield of 5-yl or 6-yl radicals depending largely on the nature of the nonhydrogen 5 or 6 substituent. The spectral parameters of both radical types were determined by spectra simulation. In deoxyribose, abstraction of a carbon-bound hydrogen takes place from probably only 2 initial sites, the corresponding radicals undergoing a fast and a slow secondary reaction. In nucleosides (nucleotides), the base and deoxyribose (deoxyribose phosphate) moiety react independently. The relative yield of both subgroup radicals was determined and explained in terms of a “”miss or react”” mechanism. The findings are discussed in terms of solid-state vs. liquid solution type reaction mechanisms.

Journal of Physical Chemistry published new progress about ESR (electron spin resonance). 4956-05-2 belongs to class pyrimidines, and the molecular formula is C3H2BrN3O2, Electric Literature of 4956-05-2.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Purkayastha, Subhasish; Lazrek, Bihi H.; Panzica, Raymond P.; Naguib, Fardos N. M.; El Kouni, Mahmoud H. published the artcile< as-Triazine acyclonucleosides: potential inhibitors of pyrimidine enzymes>, Synthetic Route of 4956-05-2, the main research area is triazine acyclonucleoside; nucleoside acyclo triazine; pyrimidine enzyme inhibitor acyclonucleoside.

Seven as-triazine-3,5-dione acyclonucleosides I (R = Ac, H, R1 = SCH2Ph, Br, H; R = H, R1 = NH2) were prepared starting with the alkylation of the corresponding O-trimethylsilylated as-triazine-3,5-diones with AcOCH2CH2OCH2Br. I were evaluated as inhibitors of orotate phosphoribosyltransferase (OPRTase, EC 2.4.2.10), orotidine 5′-monophosphate decarboxylase (ODCase, EC 4.1.2.23), uridine phosphorylase (UrdPase, EC 2.4.2.3), and thymidine phosphorylase (dThdPase, EC 2.4.2.4). I did not inhibit any of these enzymes.

Nucleosides & Nucleotides published new progress about 4956-05-2. 4956-05-2 belongs to class pyrimidines, and the molecular formula is C3H2BrN3O2, Synthetic Route of 4956-05-2.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Homon, Anton A.; Hryshchuk, Oleksandr V.; Trofymchuk, Serhii; Michurin, Oleg; Kuchkovska, Yuliya; Radchenko, Dmytro S.; Grygorenko, Oleksandr O. published the artcile< Synthesis of 3-Azabicyclo[3.2.0]heptane-Derived Building Blocks via [3+2] Cycloaddition>, Application In Synthesis of 6554-61-6, the main research area is azabicyclo heptane derivative; cyclobuteneraboxylic acid ester cycloaddition.

An efficient approach to synthesis of various substituted 3-azabicyclo[3.2.0]heptane-derived building blocks based on [3+2] cycloaddition of cyclobut-1-eneraboxylic acid ester and in situ generated azomethine ylide was developed and applied on multigram scale. The utility of 1,3-disubstituted 3-azabicyclo[3.2.0]heptane scaffold was demonstrated by addnl. structural anal. using exit vector plot (EVP) tool, and tested in parallel synthesis of compound library.

European Journal of Organic Chemistry published new progress about [3+2] Cycloaddition reaction. 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, Application In Synthesis of 6554-61-6.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Lebraud, Honorine; Wright, David J.; East, Charlotte E.; Holding, Finn P.; O’Reilly, Marc; Heightman, Tom D. published the artcile< In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor>, Name: 4,5-Dichloro-2-(methylthio)pyrimidine, the main research area is in gel activity based protein profiling ERK1 ERK2.

In-gel activity-based protein profiling (ABPP) offers rapid assessment of the proteome-wide selectivity and target engagement of a chem. tool. Here we demonstrate the use of the inverse electron demand Diels Alder (IEDDA) click reaction for in-gel ABPP by evaluating the selectivity profile and target engagement of a covalent ERK1/2 probe tagged with a trans-cyclooctene group. The chem. probe was shown to bind covalently to Cys166 of ERK2 using protein MS and X-ray crystallog., and displayed submicromolar GI50s in A375 and HCT116 cells. In both cell lines, the probe demonstrated target engagement and a good selectivity profile at low concentrations, which was lost at higher concentrations The IEDDA cycloaddition enabled fast and quant. fluorescent tagging for readout with a high background-to-noise ratio and thereby provides a promising alternative to the commonly used copper catalyzed alkyne-azide cycloaddition

Molecular BioSystems published new progress about Click chemistry. 99469-85-9 belongs to class pyrimidines, and the molecular formula is C5H4Cl2N2S, Name: 4,5-Dichloro-2-(methylthio)pyrimidine.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia