Day: December 1, 2022

Rozatian, Neshat published the artcileEnolization rates control mono- versus di-fluorination of 1,3-dicarbonyl derivatives, Recommanded Product: 1-Fluoropyridiniumtriflate, the publication is Chemical Science (2019), 10(44), 10318-10330, database is CAplus and MEDLINE.

Fluorine-containing 1,3-dicarbonyl derivatives are essential building blocks for drug discovery and manufacture To understand the factors that determine selectivity between mono- and di-fluorination of 1,3-dicarbonyl systems, we have performed kinetic studies of keto-enol tautomerism and fluorination processes. Photoketonization of 1,3-diaryl-1,3-dicarbonyl derivatives and their 2-fluoro analogs is coupled with relaxation kinetics to determine enolization rates. Reaction additives such as water accelerate enolization processes, especially of 2-fluoro-1,3-dicarbonyl systems. Kinetic studies of enol fluorination with Selectfluor and NFSI reveal the quant. effects of 2-fluorination upon enol nucleophilicity towards reagents of markedly different electrophilicity. Our findings have important implications for the synthesis of α,α-difluoroketonic compounds, providing valuable quant. information to aid in the design of fluorination and difluorination reactions.

Chemical Science published new progress about 107263-95-6. 107263-95-6 belongs to pyridine-derivatives, auxiliary class Fluorination reagent, name is 1-Fluoropyridiniumtriflate, and the molecular formula is C6H5F4NO3S, Recommanded Product: 1-Fluoropyridiniumtriflate.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Baus Topic, Nea published the artcileHalogen-Bonded Cocrystals of 1,3,5-Triiodo-2,4,6-trifluorobenzene and Structural Isomers of Benzoylpyridine, Computed Properties of 91-02-1, the publication is Crystal Growth & Design (2022), 22(6), 3981-3989, database is CAplus.

Six novel halogen-bonded cocrystals of 1,3,5-triiodo-2,4,6-trifluorobenzene with three structural isomers of benzoylpyridine have been synthesized mechanochem. and by crystallization from solution, five of which were structurally characterized. In four cocrystals, benzoylpyridine is a ditopic halogen-bond acceptor participating in halogen bonding with both pyridine nitrogen and carbonyl oxygen atoms, while in one cocrystal, only the I···N halogen bond has formed. In general, the I···N halogen bonds are shorter than I···O interactions, except in the cocrystals with 2-benzoylpyridine. The N and O halogen-bond acceptor sites were evaluated using calculated mol. electrostatic potentials (MEPs) and binding energies of both I···N and I···O halogen-bonded dimers in the gas phase.

Crystal Growth & Design published new progress about 91-02-1. 91-02-1 belongs to pyridine-derivatives, auxiliary class Pyridine,Benzene,Ketone, name is Phenyl(pyridin-2-yl)methanone, and the molecular formula is C12H9NO, Computed Properties of 91-02-1.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Guay, Daniel published the artcileSynthesis and SAR of pyrimidine-based, non-nucleotide P2Y₁₄ receptor antagonists, SDS of cas: 197958-29-5, the publication is Bioorganic & Medicinal Chemistry Letters (2011), 21(10), 2832-2835, database is CAplus and MEDLINE.

A weak antagonist of the pyrimidinergic receptor P2Y₁₄ containing a dihydropyridopyrimidine core was identified through high-throughput screening. Subsequent optimization led to potent, non-UTP competitive antagonists and represent the first reported non-nucleotide antagonists of this receptor. Dihydropyridopyrimidine I was identified as a 10 nM P2Y₁₄ antagonist with good oral bioavailability and provided sufficient exposure in mice to be used as a tool for future in vivo studies.

Bioorganic & Medicinal Chemistry Letters published new progress about 197958-29-5. 197958-29-5 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester, name is 2-Pyridinylboronic acid, and the molecular formula is C5H6BNO2, SDS of cas: 197958-29-5.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Mushrush, George W. published the artcileChemical basis of middle-distillate fuel instability – interactive effects of selected nitrogen heterocycles with organic acids and bases in a shale-derived diesel fuel, Formula: C5H5NO3S, the publication is Oil Shale Symposium Proceedings (1991), 74-81, database is CAplus.

Fuel-instability reactions with increasing time in storage usually are defined in terms of the formation of deleterious products, such as filterable sediment and peroxides. These detrimental products of long-term storage continue to be a problem in the utilization of middle-distillate fuels. Gravimetric stability tests have been carried out at 80° by using 2 model N heterocycles: 2,5-dimethylpyrrole (DMP) and 3-methylindole (3-MI) in an otherwise stable shale-derived diesel fuel. Potential interactive effects for these N heterocycles in this stable middle-distillate fuel have been described by the presence of organic acid and base co-dopants. Organic acid co-dopants included hexanoic acid, acetic acid, dodecylbenzene sulfonic acid, and p-toluene sulfonic acid; organic bases employed included tri-n-butylamine, N,N-di-Me aniline, and 4-dimethylamino pyridine. Co-dopants were selected on the number of polar species present in a shale-derived diesel fuel. The fuel matrix containing the co-dopants, 2,5-dimethylpyrrole and dodecylbenzene sulfonic acid, generated the largest quantity of filterable sediment yet observed in any of the stability tests. Simple organic amines exerted only minor interactive effects, usually an increase in filterable sediment of 5-15%. However, the diamine species, 4-dimethylamino pyridine, interacted in a strongly pos. fashion to generate increased amounts of sediment. Hydroperoxide levels were monitored for each reaction mixture Co-dopants had a drastic beneficial effect on observed hydroperoxide concentration

Oil Shale Symposium Proceedings published new progress about 636-73-7. 636-73-7 belongs to pyridine-derivatives, auxiliary class Pyridine,Sulfonic acid, name is Pyridine-3-sulfonic acid, and the molecular formula is C5H5NO3S, Formula: C5H5NO3S.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Siddle, Jamie S. published the artcileDivergent synthesis of arylated pyridin-2(1H)-one derivatives via metal-catalysed cross-coupling processes, Formula: C5H5BrN2, the publication is Tetrahedron (2010), 66(32), 6138-6149, database is CAplus.

1,5-Di(hetero)arylated-pyridin-2(1H)-one derivatives, e.g. I, have been readily obtained in good yields starting from 2-fluoro-5-pyridylboronic acid. The sequence comprises three steps: (i) palladium-catalyzed Suzuki-Miyaura reaction; (ii) base-catalyzed hydrolysis; (iii) copper-catalyzed C-N coupling. X-ray crystal structures are reported for selected pyridin-2(1H)-one derivatives These compounds are of interest as new scaffolds for drug discovery.

Tetrahedron published new progress about 39856-58-1. 39856-58-1 belongs to pyridine-derivatives, auxiliary class Pyridine,Bromide,Amine, name is 2-Bromopyridin-3-amine, and the molecular formula is C10H2F12NiO4, Formula: C5H5BrN2.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Storz, Thomas published the artcileThe first practical and efficient one-pot synthesis of 6-substituted 7-azaindoles via a Reissert-Henze reaction, COA of Formula: C14H12N2O, the publication is Synthesis (2008), 201-214, database is CAplus.

A variety of 6-substituted 7-azaindoles (30 examples) were obtained via selective O-methylation of 7-azaindole-N-oxide m-chlorobenzoic acid salt and subsequent, base-catalyzed one-pot reaction with a range of N-, O-, S-nucleophiles or cyanide.

Synthesis published new progress about 1018441-04-7. 1018441-04-7 belongs to pyridine-derivatives, auxiliary class 5.6_Aromatics,Pyrrolo[n,m-x]Pyridine, name is 6-(Benzyloxy)-1H-pyrrolo[2,3-b]pyridine, and the molecular formula is C18H34N4O5S, COA of Formula: C14H12N2O.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Zipp, G. Greg published the artcileNovel inhibitors of the high-affinity L-proline transporter as potential therapeutic agents for the treatment of cognitive disorders, Computed Properties of 197958-29-5, the publication is Bioorganic & Medicinal Chemistry Letters (2014), 24(16), 3886-3890, database is CAplus and MEDLINE.

The incidence of cognitive disorders such as Alzheimer’s disease continues to increase unabated. While cures for such diseases have eluded investigators, progress is being made on alleviating certain symptoms of these diseases. Mouse knockouts of the proline transporter (PROT), a high affinity Na⁺/Cl^–-dependent transporter, indicated its potential as a novel therapeutic target for cognition improvement. Herein we report our investigation into a novel class of PROT inhibitors.

Bioorganic & Medicinal Chemistry Letters published new progress about 197958-29-5. 197958-29-5 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester, name is 2-Pyridinylboronic acid, and the molecular formula is C11H10O, Computed Properties of 197958-29-5.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Romagnoli, Romeo published the artcileSynthesis and biological evaluation of novel 2-amino-3-aroyl-4-neopentyl-5-substituted thiophene derivatives as allosteric enhancers of the A₁ adenosine receptor, Application In Synthesis of 197958-29-5, the publication is Bioorganic & Medicinal Chemistry (2014), 22(1), 148-166, database is CAplus and MEDLINE.

2-Amino-3-benzoyl thiophenes have been widely reported to act as allosteric enhancers at the A₁ adenosine receptor. Their activity can be increased considerably by appropriate substitutions at the 4- and 5-positions of the thiophene ring. Substituent size at the thiophene C-4 position seemed to be a factor closely related to activity, with the 4-neopentyl (2,2-dimethylpropyl) substitution showing the greatest enhanced activity. A wide series of 2-amino-3-aroyl-4-neopentylthiophene derivatives with general structure I, characterized by the presence of different substituents (bromine, aryl and heteroaryl) at the 5-position of the thiophene ring, have been identified as potent AEs at the A₁AR. With only one exception, all of the synthesized compounds proved to be superior to the reference compound PD 81,723 in a functional assay. Derivatives I (R = Ph, R¹ = 4-Me; R = 4-OMePh, R¹ = 4-Me; R = 3-OMePh, R¹ = 4-Cl; R = 3,4-(O-CH₂-O)Ph, R¹ = 4-Cl; and R = 4-MePh, R¹ = 4-Cl) were the most active compounds in binding (saturation and competition) and functional cAMP studies, being able to potentiate agonist [³H]CCPA binding to the A₁ receptor.

Bioorganic & Medicinal Chemistry published new progress about 197958-29-5. 197958-29-5 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester, name is 2-Pyridinylboronic acid, and the molecular formula is C5H6BNO2, Application In Synthesis of 197958-29-5.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Yang, Christine published the artcileDiscovery of Benzimidazole Oxazolidinediones as Novel and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists, Safety of 2-Pyridinylboronic acid, the publication is ACS Medicinal Chemistry Letters (2015), 6(4), 461-465, database is CAplus and MEDLINE.

Elaboration of the oxazolidinedione series led to replacement of the exocyclic amides with substituted benzimidazoles. The structure-activity relationship exploration resulted in the discovery of potent and selective nonsteroidal mineralocorticoid receptor antagonists with significantly improved microsomal stability and pharmacokinetic profile relative to the HTS hit. One compound I possessed comparable efficacy as spironolactone at 100 mg/kg (p.o.) in the rat natriuresis model. As such, this series was validated as a lead series for further optimization.

ACS Medicinal Chemistry Letters published new progress about 197958-29-5. 197958-29-5 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester, name is 2-Pyridinylboronic acid, and the molecular formula is C19H14Cl2, Safety of 2-Pyridinylboronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Manley, Peter J. published the artcile2,4-Disubstituted pyrimidines: A novel class of KDR kinase inhibitors, Safety of 4-Amino-2-picoline, the publication is Bioorganic & Medicinal Chemistry Letters (2003), 13(10), 1673-1677, database is CAplus and MEDLINE.

2,4-Disubstituted pyrimidines were synthesized as a novel class of KDR kinase inhibitors. Evaluation of the SAR of the screening lead compound I (R = H) (KDR IC₅₀=105 nM, Cell IC₅₀=8% inhibition at 500 nM) led to the potent 3,5-dimethylaniline derivative I (R = Me) (KDR IC₅₀=6 nM, cell IC₅₀=19 nM).

Bioorganic & Medicinal Chemistry Letters published new progress about 18437-58-6. 18437-58-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 4-Amino-2-picoline, and the molecular formula is C6H8N2, Safety of 4-Amino-2-picoline.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem