Category: 5182-90-1

Minisci, Francesco; Recupero, Francesco; Punta, Carlo; Gambarotti, Cristian; Antonietti, Fabrizio; Fontana, Francesca; Pedulli, Gian Franco published the artcile< A novel, selective free-radical carbamoylation of heteroaromatic bases by Ce(IV) oxidation of formamide, catalyzed by N-hydroxyphthalimide>, Related Products of 5182-90-1, the main research area is carbamoylation heteroaromatic compound cerium oxidation formamide hydroxyphthalimide catalyst.

The Ce(IV)-NHPI system was used to generate a carbamoyl radical by oxidation of formamide; this nucleophilic radical has been successfully used in the carbamoylation of heteroaromatic bases.

Chemical Communications (Cambridge, United Kingdom) published new progress about Carbamoylation. 5182-90-1 belongs to class quinoxaline, and the molecular formula is C9H7N3O, Related Products of 5182-90-1.

Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Caronna, T.; Gambarotti, C.; Palmisano, L.; Punta, C.; Recupero, F. published the artcile< Sunlight induced functionalization of some heterocyclic bases in the presence of polycrystalline TiO2>, Recommanded Product: Quinoxaline-2-carboxamide, the main research area is quinoline sunlight functionalization titanium oxide; photochem oxidation sunlight functionalization titanium oxide; quinoxaline sunlight functionalization titanium oxide; quinaldine methylquinoline sunlight functionalization titanium oxide; lepidine methylquinoline sunlight functionalization titanium oxide.

The functionalization of various heterocyclic bases induced by sunlight is reported. The photoreaction occurred with higher yield in a liquid-solid heterogeneous system in the presence of polycrystalline TiO2 (anatase) than in a homogeneous system under the same exptl. conditions.

Chemical Communications (Cambridge, United Kingdom) published new progress about Amidation. 5182-90-1 belongs to class quinoxaline, and the molecular formula is C9H7N3O, Recommanded Product: Quinoxaline-2-carboxamide.

Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Harms, Arthur E. published the artcile< An Efficient Synthesis of 2-Quinoxalinecarboxylic Acid>, Application In Synthesis of 5182-90-1, the main research area is fructose cyclocondensation phenylenediamine; phenylenediamine cyclocondensation monosaccharide; quinoxalinecarboxylic acid preparation.

Development of a cost efficient and scaleable process for 2-quinoxalinecarboxylic acid is described. The primarily goals of the development work were to improve the overall yield of the process, to minimize the use of environmentally unacceptable materials, and to obtain a material with a high level of purity. A variety of approaches were examined, and the most efficient method was a condensation of o-phenylenediamine with a monosaccharide followed by a mild peroxide oxidation

Organic Process Research & Development published new progress about Green chemistry. 5182-90-1 belongs to class quinoxaline, and the molecular formula is C9H7N3O, Application In Synthesis of 5182-90-1.

Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Rustenburg, Arien S.; Dancer, Justin; Lin, Baiwei; Feng, Jianwen A.; Ortwine, Daniel F.; Mobley, David L.; Chodera, John D. published the artcile< Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge>, Electric Literature of 5182-90-1, the main research area is cyclohexane water SAMPL5 analysis; Blind challenge; Distribution coefficients; Partition coefficients; Predictive modeling; SAMPL.

Small mol. distribution coefficients between immiscible nonaqueuous and aqueous phases-such as cyclohexane and water-measure the degree to which small mols. prefer one phase over another at a given pH. As distribution coefficients capture both thermodn. effects (the free energy of transfer between phases) and chem. effects (protonation state and tautomer effects in aqueous solution), they provide an exacting test of the thermodn. and chem. accuracy of phys. models without the long correlation times inherent to the prediction of more complex properties of relevance to drug discovery, such as protein-ligand binding affinities. For the SAMPL5 challenge, we carried out a blind prediction exercise in which participants were tasked with the prediction of distribution coefficients to assess its potential as a new route for the evaluation and systematic improvement of predictive phys. models. These measurements are typically performed for octanol-water, but we opted to utilize cyclohexane for the nonpolar phase. Cyclohexane was suggested to avoid issues with the high water content and persistent heterogeneous structure of water-saturated octanol phases, since it has greatly reduced water content and a homogeneous liquid structure. Using a modified shake-flask LC-MS/MS protocol, we collected cyclohexane/water distribution coefficients for a set of 53 druglike compounds at pH 7.4. These measurements were used as the basis for the SAMPL5 Distribution Coefficient Challenge, where 18 research groups predicted these measurements before the exptl. values reported here were released. In this work, we describe the exptl. protocol we utilized for measurement of cyclohexane-water distribution coefficients, report the measured data, propose a new bootstrap-based data anal. procedure to incorporate multiple sources of exptl. error, and provide insights to help guide future iterations of this valuable exercise in predictive modeling.

Journal of Computer-Aided Molecular Design published new progress about pH. 5182-90-1 belongs to class quinoxaline, and the molecular formula is C9H7N3O, Electric Literature of 5182-90-1.

Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Citterio, Attilio; Gentile, Anna; Minisci, Francesco; Serravalle, Marco; Ventura, Susanna published the artcile< Polar effects in free-radical reactions. Carbamoylation and α-N-amidoalkylation of heteroaromatic bases by amides and hydroxylamine-O-sulfonic acid>, Electric Literature of 5182-90-1, the main research area is heterocycle carbamoylation amidoalkylation mechanism.

NH3+·, formed in the decomposition of H3N+OSO3- by Fe2+, generates carbamoyl and α-N-amidoalkyl radicals by H abstraction from formamide, alkylformamides, and N-alkylacetamides. Both carbamoyl and α-N-amidoalkyl radicals have a clear-cut nucleophilic character and selectively attack protonated heteroaromatic bases, e.g., 4-methylquinoline or quinoxaline, in the α-position or are oxidized by Fe(III) salts. Redox chain mechanisms are involved. The importance of the polar effects in the H abstraction, aromatic substitution, and oxidation by Fe(III) salt is discussed.

Journal of Organic Chemistry published new progress about Amidoalkylation. 5182-90-1 belongs to class quinoxaline, and the molecular formula is C9H7N3O, Electric Literature of 5182-90-1.

Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Minisci, Francesco; Gardini, G. P.; Galli, Remo; Bertini, F. published the artcile< New selective type of aromatic substitution: homolytic amidation>, SDS of cas: 5182-90-1, the main research area is heterocycle nitrogen homolytic amidation; homolytic amidation nitrogen heterocycle; amidation homolytic nitrogen heterocycle; nitrogen heterocycle homolytic amidation; heterocycle nitrogen homolytic amidation; carbamoylation homolytic nitrogen heterocycle; carbamoyl pyridines pyrazines; pyridines carbamoyl pyrazines; pyrazines carbamoyl pyridines; thiazoles imidazoles benzimidazoles amidation; imidazoles benzimidazoles thiazoles amidation; benzimidazoles imidazoles thiazoles amidation; carbamoyl radical nucleophilic character.

I, II (at least one of R1 and R2 is CONH2), and III are prepared by carbamoylation. Thus, 34% H2O2 soin. is added to quinoxaline and concentrated H2SO4 in HCONH2 at 10-15°. FeSO4.7H2O is added simultaneously, to give 97% 2-quinoxalinecarboxamide. Similarly prepared are I (R = H) and the following II (R, R1, and R2 given): H, CONH2, CONH2; H, CONH2, Et; (RR =)CH:CHCH:CH, CONH2, CONH2; (RR =) CH:CHCH:CH, CONH2, Me; (RR =) CH:CHCH:CH, Me, CONH2. Also prepared were 1-carbamoyl-isoquinoline, III (R = S), and III (R = NH).

Tetrahedron Letters published new progress about 5182-90-1. 5182-90-1 belongs to class quinoxaline, and the molecular formula is C9H7N3O, SDS of cas: 5182-90-1.

Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Gerchakov, Shlomo; Whitman, Peter J.; Schultz, Harry P. published the artcile< Quinoxaline studies. XIII. N-(2-Quinoxaloyl)-α-amino acids>, Synthetic Route of 5182-90-1, the main research area is .

A mixt of α-amino acid, 5% aqueous NaHCO3 and 2-quinoxaloyl chloride was stirred at 25° until the first-formed red color became pale yellow. Acidification of the decolorized solution then yielded the title compounds Uv data are given.

Journal of Medicinal Chemistry published new progress about Amino acids Role: BIOL (Biological Study). 5182-90-1 belongs to class quinoxaline, and the molecular formula is C9H7N3O, Synthetic Route of 5182-90-1.

Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Sangkanu, Suthinee; Rukachaisirikul, Vatcharin; Suriyachadkun, Chanwit; Phongpaichit, Souwalak published the artcile< Evaluation of antibacterial potential of mangrove sediment-derived actinomycetes>, Related Products of 5182-90-1, the main research area is sequence Streptomyces Staphylococcus Acinetobacter Chromobacterium antibacterial violacein; Anti-biofilm; Anti-violacein production; Antibacterial activity; Bioactive metabolites; Mangrove-derived actinomycetes; Streptomyces.

Actinomycetes are well-known as the source of bioactive metabolites. In this work, 16 out of 118 (13.6%) isolates of mangrove sediment-derived actinomycetes showed potential antibacterial activity against at least one bacterial strain. Five extracts from isolates AMA11, AMA12 and AMA21 exhibited a broad spectrum antibacterial activity against Staphylococcus aureus ATCC25923, Staphylococcus epidermidis ATCC35984, methicillin-resistant S. aureus (MRSA) SK1, Acinetobacter baumannii NPRC004 and Escherichia coli ATCC25922. Et acetate extract from the cells of AMA11 (AMA11CE) showed high activity against S. aureus and MRSA with the lowest min. inhibitory concentration (MIC) of 0.5μg ml-1. At concentration of four times its MIC, AMA11CE destroyed MRSA cells as analyzed by the SEM. In addition, AMA11CE, Et acetate extract from the culture broth of AMA12 (AMA12BE), AMA12CE and AMA21CE reduced violacein production in Chromobacterium violaceum. Furthermore, at concentrations lower than 10μg ml-1, all five extracts inhibited biofilm formation by S. epidermidis ATCC35984. The chem. anal. of the most active fraction from AMA11CE by GC-MS revealed the presence of 3-nitro-1,2-benzenedicarboxylic acid, hexadecanoic acid, quinoxaline-2-carboxamide and pentadecanoic acid. The 16S rDNA sequencing anal. revealed that these three potential isolates belonged to the genus Streptomyces. The results revealed that the actinomycetes from mangrove environment would be a good source of bioactive metabolites against pathogenic bacteria.

Microbial Pathogenesis published new progress about Acinetobacter baumannii. 5182-90-1 belongs to class quinoxaline, and the molecular formula is C9H7N3O, Related Products of 5182-90-1.

Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Seitz, Lainne E.; Suling, William J.; Reynolds, Robert C. published the artcile< Synthesis and Antimycobacterial Activity of Pyrazine and Quinoxaline Derivatives>, Related Products of 5182-90-1, the main research area is benzyl pyrazinecarboxylate preparation antimycobacterial activity; quinoxalinecarboxylate benzyl preparation antimycobacterial activity.

A series of pyrazine and quinoxaline derivatives have been synthesized, and their activity against M. tuberculosis (Mtb) and Mycobacterium avium (MAC) are reported. The 4-acetoxybenzyl ester of pyrazinoic acid (I) and 4′-acetoxybenzyl 2-quinoxalinecarboxylate (II) showed excellent activity against Mtb (MIC ranges of less than 1-6.25 μg/mL) but only modest activity against MAC (MICs of 4-32 μg/mL).

Journal of Medicinal Chemistry published new progress about Aralkyl alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 5182-90-1 belongs to class quinoxaline, and the molecular formula is C9H7N3O, Related Products of 5182-90-1.

Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Wakelin, Laurence P. G.; Waring, Michael J. published the artcile< The binding of echinomycin to deoxyribonucleic acid>, Computed Properties of 5182-90-1, the main research area is DNA echinomycin binding.

Association constants for the binding of echinomycin (I) [512-64-1] to 9 double-helical DNA species from different sources varied by a factor of approx. 10 but were not simply related to the gross base composition The interaction of I with DNA was ionic strength dependent and the enthalpy of interaction was approx. -13 kJ/mole. I interacted strongly with some synthetic polydeoxynucleotides, having the highest affinity for polymers rich in deoxyguanine and deoxycytosine nucleotides. I altered the supercoiling of closed circular duplex bacteriophage PM2 DNA in the same way as that of intercalating drugs. At low ionic strength (0.01M), the interaction was bifunctional, but at higher ionic strength (0.5M) the intercalation became more monofunctional. Quinoxaline-2-carboxamide [5182-90-1] and Bayer 7602 [13988-23-3] showed only weak interactions with DNA, indicating that the peptide portion of I is important in determining the strength and specificity of the interaction.

Biochemical Journal published new progress about DNA Role: FORM (Formation, Nonpreparative). 5182-90-1 belongs to class quinoxaline, and the molecular formula is C9H7N3O, Computed Properties of 5182-90-1.

Referemce:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider