Month: November 2022

Przybylak, Katarzyna R.’s team published research in Journal of Chemical Information and Modeling in 54 | CAS: 375815-87-5

Journal of Chemical Information and Modeling published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, Formula: C17H19N3O6.

Przybylak, Katarzyna R. published the artcileHow Does the Quality of Phospholipidosis Data Influence the Predictivity of Structural Alerts?, Formula: C17H19N3O6, the publication is Journal of Chemical Information and Modeling (2014), 54(8), 2224-2232, database is CAplus and MEDLINE.

The ability of drugs to induce phospholipidosis (PLD) is linked directly to their mol. substructures: hydrophobic, cyclic moieties with hydrophilic, peripheral amine groups. These structural properties can be captured and coded into SMILES arbitrary target specification (SMARTS) patterns. Such structural alerts, which are capable of identifying potential PLD inducers, should ideally be developed on a relatively large but reliable data set. We had previously developed a model based on SMARTS patterns consisting of 32 structural fragments using information from 450 chems. In the present study, addnl. PLD structural alerts have been developed based on a newer and larger data set combining two data sets published recently by the United States Food and Drug Administration (US FDA). To assess the predictive performance of the updated SMARTS model, two publicly available data sets were considered. These data sets were constructed using different criteria and hence represent different standards for overall quality. In the first data set high quality was assured as all neg. chems. were confirmed by the gold standard method for the detection of PLD-transmission electron microscopy (EM). The second data set was constructed from seven previously published data sets and then curated by removing compounds where conflicting results were found for PLD activity. Evaluation of the updated SMARTS model showed a strong, pos. correlation between predictive performance of the alerts and the quality of the data set used for the assessment. The results of this study confirm the importance of using high quality data for modeling and evaluation, especially in the case of PLD, where species, tissue, and dose dependence of results are addnl. confounding factors.

Journal of Chemical Information and Modeling published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, Formula: C17H19N3O6.

Referemce:
https://en.wikipedia.org/wiki/Quinoxaline,
Quinoxaline | C8H6N2 | ChemSpider

 

Levy, Jeffrey N.’s team published research in Journal of the American Chemical Society in 142 | CAS: 375815-87-5

Journal of the American Chemical Society published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, COA of Formula: C17H19N3O6.

Levy, Jeffrey N. published the artcileSelective Halogenation of Pyridines Using Designed Phosphine Reagents, COA of Formula: C17H19N3O6, the publication is Journal of the American Chemical Society (2020), 142(25), 11295-11305, database is CAplus and MEDLINE.

Halopyridines are key building blocks for synthesizing pharmaceuticals, agrochems., and ligands for metal complexes, but strategies to selectively halogenate pyridine C-H precursors are lacking. We designed a set of heterocyclic phosphines that are installed at the 4-position of pyridines as phosphonium salts and then displaced with halide nucleophiles. A broad range of unactivated pyridines can be halogenated, and the method is viable for late-stage halogenation of complex pharmaceuticals. Computational studies indicate that C-halogen bond formation occurs via an SNAr pathway, and phosphine elimination is the rate-determining step. Steric interactions during C-P bond cleavage account for differences in reactivity between 2- and 3-substituted pyridines.

Journal of the American Chemical Society published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, COA of Formula: C17H19N3O6.

Referemce:
https://en.wikipedia.org/wiki/Quinoxaline,
Quinoxaline | C8H6N2 | ChemSpider

 

El-Bagary, Ramzia I.’s team published research in Talanta in 146 | CAS: 375815-87-5

Talanta published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, Product Details of C17H19N3O6.

El-Bagary, Ramzia I. published the artcileNovel liquid chromatographic methods for the determination of varenicline tartrate, Product Details of C17H19N3O6, the publication is Talanta (2016), 83-92, database is CAplus and MEDLINE.

Two simple, sensitive, rapid, and stability-indicating liquid chromatog. (LC) methods have been developed for the determination of varenicline tartrate. They comprised the determination of varenicline (VRC) in the presence of its oxidative degradates and related impurity (N-formyl varenicline) (NFV). The first method was a LC with diode array detection (DAD) at 235 nm using Ristek-Ultra C18 column (100 mm×2.1 mm, 5 μm). Isocratic elution of VRC was employed using a mobile phase consisting of buffer mixture (1.2% potassium dihydrogen phosphate and 0.08% octane sulfonic acid): acetonitrile (86:14, volume/volume), pH (5.0). In the second method; a fluorimetric detection technique was developed, based on precolumn derivatization of VRC using 7-chloro-4-nitrobenzo-2-oxa-1, 3-diazole (NBD-Cl). The fluorescence detector (FLD) was operated at 474 nm for excitation and 539 nm for emission. Isocratic elution was applied with a mobile phase consisting of methanol-distilled water (70:30, volume/volume). Separation was achieved using Symmetry Waters C18 column (150 mm×4.6 mm, 5 μm). Linearity, accuracy and precision were found to be acceptable over the concentration ranges of 0.5-20.0 μg mL-1 and 0.2-20.0 μg mL-1 with the first and the second method, resp. The optimized methods were validated and proved to be specific, simple, and accurate for the quality control of the drug in its pharmaceutical preparation

Talanta published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, Product Details of C17H19N3O6.

Referemce:
https://en.wikipedia.org/wiki/Quinoxaline,
Quinoxaline | C8H6N2 | ChemSpider

 

Maklad, Noha’s team published research in Chemtracts in 21 | CAS: 226878-01-9

Chemtracts published new progress about 226878-01-9. 226878-01-9 belongs to quinoxaline, auxiliary class Neuronal Signaling,mGluR, name is N-(Adamantan-1-yl)quinoxaline-2-carboxamide, and the molecular formula is C19H21N3O, Name: N-(Adamantan-1-yl)quinoxaline-2-carboxamide.

Maklad, Noha published the artcilePositive and negative modulation of group 1 metabotropic glutamate receptors, Name: N-(Adamantan-1-yl)quinoxaline-2-carboxamide, the publication is Chemtracts (2008), 21(5), 165-171, database is CAplus.

A review. Vanejevs et al. developed a pharmacophore hypothesis using potent and com. available metabotropic glutamate receptor 1 (mGluR1) analogs. This was done by aligning the potent and com. available mGluR1 antagonists using the flexible alignment tool included in the Mol. Operating Environment software. The developed pharmacophore model offers a new and different methodol. to discover such analogs.

Chemtracts published new progress about 226878-01-9. 226878-01-9 belongs to quinoxaline, auxiliary class Neuronal Signaling,mGluR, name is N-(Adamantan-1-yl)quinoxaline-2-carboxamide, and the molecular formula is C19H21N3O, Name: N-(Adamantan-1-yl)quinoxaline-2-carboxamide.

Referemce:
https://en.wikipedia.org/wiki/Quinoxaline,
Quinoxaline | C8H6N2 | ChemSpider

 

Ericson, Jon F.’s team published research in Environmental Science & Technology in 44 | CAS: 375815-87-5

Environmental Science & Technology published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, Name: 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate.

Ericson, Jon F. published the artcileEvaluation of the OECD 314B Activated Sludge Die-Away Test for Assessing the Biodegradation of Pharmaceuticals, Name: 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, the publication is Environmental Science & Technology (2010), 44(1), 375-381, database is CAplus and MEDLINE.

The European Medicines Agency guideline for the environmental risk assessment of medicinal products provides a step-by-step phased approach to evaluate the potential risks of new medicines to the environment. Phase I (prescreen) estimates the initial exposure of the new medicine in the environment. Phase II A (screen) estimates the fate and effects in the environment. The fate screen determines the inherent properties of the new medicinal active ingredient to sorb to sludge, soil, and sediment matrixes and its potential to degrade in a sewage treatment plant and in the subsequent water-sediment compartment. Current ERA Guidance (2006) recommends the OECD 301B Ready Biodegradation Test for Phase II Tier A testing without a clear recommendation for Phase II Tier B testing when further refinement may be needed. With the recent approval of the OECD 314B method for activated sludge, there is now an alternative test method that may be better suited for Phase II Tier A testing and to the data needs of the ERA. As a batch test, it fits the needs of a Tier A screen. It is not designed to simulate the operational steps of a sewage treatment plant, such as the OECD 303 tests, and yet provides the following without considerable costs or resources of OECD 303: (1) useful kinetic information in a test that reflects the conditions of the sewage-treatment environment, i.e., realistic biomass solids concentrations and low level test material concentrations to simulate 1st-order (nongrowth) kinetics, (2) mass balance anal. for CO2 evolution and for residues found in mixed liquor, (3) use of an abiotic control to assess losses other than those attributed to biotic biodegradation, and (4) biotransformation profile of degradants. This paper presents the results of OECD 301B with that of OECD 314B for activated sludge biodegradation for 5 Pfizer drug substances. The use of this new method as an alternative to OECD 301B would strengthen the fate testing screen in Phase II Tier A of the EMEA ERA. It would provide a characterization of a substance’s potential for biotransformation and mineralization during sewage treatment and provide a means for revising predicted environmental concentration of surface water for amount removed during sewage treatment.

Environmental Science & Technology published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, Name: 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate.

Referemce:
https://en.wikipedia.org/wiki/Quinoxaline,
Quinoxaline | C8H6N2 | ChemSpider

 

Anonymous’s team published research in IP.com Journal in 9 | CAS: 375815-87-5

IP.com Journal published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, Computed Properties of 375815-87-5.

Anonymous published the artcileA condensation product between 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene and lactose, Computed Properties of 375815-87-5, the publication is IP.com Journal (2009), 9(3B2), 2, database is CAplus.

A reaction of L-tartaric acid with 7,8,9,10-tetrahydro-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine (Chantix, varenicline) provided Chantix L-tartrate. A reaction of that compound with lactose [i.e., 4-O-β-D-galactopyranosyl-D-glucose] gave a mixture of 4-O-[6-(7,8,9,10-tetrahydro-6,10-methano-6H-pyrazino[2,3-h][3]benzazepin-8-yl)-β-D-galactopyranosyl]-β-D-glucopyranose and 4-O-(β-D-galactopyranosyl)-6-deoxy-6-(7,8,9,10-tetrahydro-6,10-methano-6H-pyrazino[2,3-h][3]benzazepin-8-yl)-β-D-glucopyranose.

IP.com Journal published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, Computed Properties of 375815-87-5.

Referemce:
https://en.wikipedia.org/wiki/Quinoxaline,
Quinoxaline | C8H6N2 | ChemSpider

 

Zhang, Tao’s team published research in AAPS Journal in 23 | CAS: 375815-87-5

AAPS Journal published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C9H17NO, Recommanded Product: 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate.

Zhang, Tao published the artcileAssessing Food Effects on Oral Drug Absorption Based on the Degree of Renal Excretion, Recommanded Product: 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, the publication is AAPS Journal (2021), 23(3), 47, database is CAplus and MEDLINE.

Food intake influences the pharmacokinetics of orally administered drugs by altering drug absorption, metabolism, and excretion. A drug which is mainly excreted into urine as parent drug is usually highly water-soluble and metabolically stable. Food intake is not expected to significantly affect its extent of oral absorption, metabolism, and excretion. Therefore, we hypothesize that an orally administered drug with significant renal excretion should not have a dramatic food effect (FE). To test our hypothesis, we summarized the FE for orally administered immediate-release (IR) and modified-release (MR) formulations approved by the US FDA from 1998 to 2019, focusing on drugs undergoing significant renal excretion. Totally, 98 active pharmaceutical ingredients (APIs) in IR formulations and 34 APIs in MR formulations were selected. The results demonstrate that the area-under-the-curve (AUC) for IR drug products with fur_cunchanged_cpo > 10% is unlikely to be affected by food, although the peak plasma concentration (Cmax) may increase or decrease by up to 50%. Compared with IR drug products with fur_cunchanged_cpo > 10%, MR drug products with fur_cunchanged_cpo > 10% tend to have more significant FE. Although our proposed approach cannot substitute a clin. FE study, it could be a useful addition to early drug development to get an initial sense of the potential for FE for a drug candidate.

AAPS Journal published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C9H17NO, Recommanded Product: 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate.

Referemce:
https://en.wikipedia.org/wiki/Quinoxaline,
Quinoxaline | C8H6N2 | ChemSpider

 

Colgan, Stephen T.’s team published research in Journal of Pharmaceutical Sciences in 105 | CAS: 375815-87-5

Journal of Pharmaceutical Sciences published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, Category: quinoxaline.

Colgan, Stephen T. published the artcileUse of Activated Carbon in Packaging to Attenuate Formaldehyde-Induced and Formic Acid-Induced Degradation and Reduce Gelatin Cross-Linking in Solid Dosage Forms, Category: quinoxaline, the publication is Journal of Pharmaceutical Sciences (2016), 105(7), 2027-2031, database is CAplus and MEDLINE.

Formaldehyde and formic acid are reactive impurities found in commonly used excipients and can be responsible for limiting drug product shelf-life. Described here is the use of activated carbon in drug product packaging to attenuate formaldehyde-induced and formic acid-induced drug degradation in tablets and crosslinking in hard gelatin capsules. Several pharmaceutical products with known or potential vulnerabilities to formaldehyde-induced or formic acid-induced degradation or gelatin crosslinking were subjected to accelerated stability challenges in the presence and absence of activated carbon. The effects of time and storage conditions were determined For all of the products studied, activated carbon attenuated drug degradation or gelatin crosslinking. This novel use of activated carbon in pharmaceutical packaging may be useful for enhancing the chem. stability of drug products or the dissolution stability of gelatin-containing dosage forms and may allow for the (1) extension of a drug product’s shelf-life when the limiting attribute is a degradation product induced by a reactive impurity, (2) marketing of a drug product in hotter and more humid climatic zones than currently supported without the use of activated carbon, and (3) enhanced dissolution stability of products that are vulnerable to gelatin crosslinking.

Journal of Pharmaceutical Sciences published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C17H19N3O6, Category: quinoxaline.

Referemce:
https://en.wikipedia.org/wiki/Quinoxaline,
Quinoxaline | C8H6N2 | ChemSpider

 

Zhang, Wei-hua’s team published research in Harbin Yike Daxue Xuebao in 46 | CAS: 226878-01-9

Harbin Yike Daxue Xuebao published new progress about 226878-01-9. 226878-01-9 belongs to quinoxaline, auxiliary class Neuronal Signaling,mGluR, name is N-(Adamantan-1-yl)quinoxaline-2-carboxamide, and the molecular formula is C25H23NO4, Formula: C19H21N3O.

Zhang, Wei-hua published the artcileCalcium sensing receptor is involved in neonate rat cardiomyocyte apoptosis induced by hypoxia/reoxygenation via regulating calcium concentration in mitochondria, Formula: C19H21N3O, the publication is Harbin Yike Daxue Xuebao (2012), 46(6), 534-538, database is CAplus.

Calcium sensing receptor (CaR) activation plays a role in the regulation of SR-mitochondrial inter-organelle Ca2+ signaling, causing apoptosis during ischemia/reperfusion (I/R). Neonatal rat cardiomyocytes were subjected to 3 h of hypoxia, followed by 6 h of reoxygenation. Ca2+ m were determined using x-rhod-1 and the mitochondrial membrane potential was detected with JC-1 during reoxygenation. The apoptotic rates detected by Hoechst33342 were lower in NPS-2390 + Ca + Ni + Cd + H-Re (±4)%, 2-APB + Ca + Ni + Cd + H-Re (18±4)% and Ru + Ca + Ni + Cd + H-Re (23±5)% groups than H-Re (33±6)%, Ca+Ni+Cd+H-Re (31±5)% and Gd+Ni+Cd+HRe (34±3)% groups. [Ca 2+] m was increased in the Ca + Ni + Cd + H-Re group. The mitochondria transmembrane potential was lower in Ca + Ni + Cd + H-Re group than that in 2-APB + Ca + Ni + Cd + H-Re and Ru + Ca + Ni + Cd + H-Re groups. CaR activation causes Ca2+ release from the SR into the mitochondria through IP3 Rs and induces cardiomyocyte apoptosis during hypoxia/reoxygenation.

Harbin Yike Daxue Xuebao published new progress about 226878-01-9. 226878-01-9 belongs to quinoxaline, auxiliary class Neuronal Signaling,mGluR, name is N-(Adamantan-1-yl)quinoxaline-2-carboxamide, and the molecular formula is C25H23NO4, Formula: C19H21N3O.

Referemce:
https://en.wikipedia.org/wiki/Quinoxaline,
Quinoxaline | C8H6N2 | ChemSpider

 

Xun, Caifang’s team published research in Spectroscopy Letters in 49 | CAS: 375815-87-5

Spectroscopy Letters published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C11H12O4, Related Products of quinoxaline.

Xun, Caifang published the artcileInteraction between varenicline tartrate and bovine serum albumin, Related Products of quinoxaline, the publication is Spectroscopy Letters (2016), 49(4), 304-310, database is CAplus.

This paper mainly investigated the interaction between varenicline tartrate and bovine serum albumin. The Stern-Volmer quenching constant and bimol. quenching rate constant were determined; furthermore, the fluorescence quenching mechanism between varenicline tartrate and bovine serum albumin was clarified. The binding constants and the number of binding sites were deduced from the double logarithm regression curve. Thermodn. parameters were calculated, which indicated that the binding process was spontaneous and the acting force were mainly hydrophobic forces. The binding distance was calculated to be 4.80 nm, which means that there was nonradiative energy transfer from varenicline tartrate to bovine serum albumin during the process. And the bovine serum albumin conformation affected by varenicline tartrate was analyzed through UV-visible and synchronous fluorescence spectroscopy.

Spectroscopy Letters published new progress about 375815-87-5. 375815-87-5 belongs to quinoxaline, auxiliary class Neuronal Signaling,AChR,Natural product, name is 7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate, and the molecular formula is C11H12O4, Related Products of quinoxaline.

Referemce:
https://en.wikipedia.org/wiki/Quinoxaline,
Quinoxaline | C8H6N2 | ChemSpider