Day: October 14, 2022

Anderson, Enyia R.; Patterson, Edward I.; Richards, Siobhan; Pitol, Ana K.; Edwards, Thomas; Wooding, Dominic; Buist, Kate; Green, Alison; Mukherjee, Sayandip; Hoptroff, Michael; Hughes, Grant L. published the artcile< CPC-containing oral rinses inactivate SARS-CoV-2 variants and are active in the presence of human saliva>, Safety of 1-Hexadecylpyridin-1-ium chloride, the main research area is cetyl pyridinium chloride oral saliva mouthwashe SARS CoV2; COVID-19; SARS-CoV-2; mouthwash; oral hygiene; saliva.

The importance of human saliva in aerosol-based transmission of SARS-CoV-2 is now widely recognized. However, little is known about the efficacy of virucidal mouthwash formulations against emergent SARS-CoV-2 variants of concern and in the presence of saliva. Mouthwashes containing virucidal actives will have similar inactivation effects against multiple SARS-CoV-2 variants of concern and will retain efficacy in the presence of human saliva. To examine in vitro efficacy of mouthwash formulations to inactivate SARS-CoV-2 variants. Inactivation of SARS-CoV-2 variants by mouthwash formulations in the presence or absence of human saliva was assayed using ASTM International Standard E1052-20 methodol. Appropriately formulated mouthwashes containing 0.07% cetylpyridinium chloride but not 0.2% chlorhexidine completely inactivated SARS-CoV-2 (USA-WA1/2020, Alpha, Beta, Gamma, Delta) up to the limit of detection in suspension assays. Tests using USA-WA1/2020 indicates that efficacy is maintained in the presence of human saliva. Together these data suggest cetylpyridinium chloride-based mouthwashes are effective at inactivating SARS-CoV-2 variants. This indicates potential to reduce viral load in the oral cavity and mitigate transmission via salivary aerosols.

Journal of Medical Microbiology published new progress about Aerosols. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Safety of 1-Hexadecylpyridin-1-ium chloride.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Facelli, Julio C.; Orendt, Anita M.; Contreras, Ruben H.; Tufro, Maria F.; De Kowalewski, Dora G. published the artcile< Ab initio and oxygen-17 NMR studies of the substituent effects on the tautomeric equilibrium in 6-X-(1H)-2-pyridones>, SDS of cas: 73018-09-4, the main research area is keto enol tautomerism pyridone substituent effect; oxygen NMR pyridone tautomerism.

17O chem. shifts are found to be highly sensitive probes in the study of keto-enol tautomeric equilibrium due to the strong sensitivity of these shifts to the coordination of the oxygen atom. The large shielding effect observed, both exptl. and theor., for the carbonyl oxygen atom in 2-pyridone suggests that the carbonyl π-electronic system experiences strong conjugation with the formal C3:C4 double bond and/or the nitrogen lone pair. A Cl or NH2 substitution at position 6 of the pyridine ring shifts the tautomeric equilibrium toward the 2-hydroxypyridine form, while a CH3 substitution results in the keto form being predominant, as is the case in the parent compound

Journal of Physical Chemistry published new progress about Conjugation (bond). 73018-09-4 belongs to class pyridine-derivatives, and the molecular formula is C5H4ClNO, SDS of cas: 73018-09-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hachey, Austin C.; Havrylyuk, Dmytro; Glazer, Edith C. published the artcile< Biological activities of polypyridyl-type ligands: implications for bioinorganic chemistry and light-activated metal complexes>, Reference of 366-18-7, the main research area is ligand polypyridyl phenanthroline bioinorganic chem metal complex; 1,10-Phenanthroline; Chemotherapy; Copper; Iron; Ligand; Natural products; Polypyridyl; Ruthenium.

Polypyridyl coordinating ligands are common in metal complexes used in medicinal inorganic chem. These ligands possess intrinsic cytotoxicity, but detailed data on this phenomenon are sparse, and cytotoxicity values vary widely and are often irreproducible. To provide new insights into the biol. effects of bipyridyl-type ligands and structurally related metal-binding systems, reports of free ligand cytotoxicity were reviewed. The cytotoxicity of 25 derivatives of 2,2-bipyridine and 1,10-phenanthroline demonstrates that there is no correlation between IC50 values and ligand properties such as pKa, log D, polarizability volume, and electron d., as indicated by NMR shifts. As a result of these observations, as well as the various reported mechanisms of action of polypyridyl ligands, we offer the hypothesis that biol. effects are governed by the availability of and affinity for specific metal ions within the exptl. model.

Current Opinion in Chemical Biology published new progress about Bioinorganic chemistry. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Reference of 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hilton, Margaret J.; Xu, Li-Ping; Norrby, Per-Ola; Wu, Yun-Dong; Wiest, Olaf; Sigman, Matthew S. published the artcile< Investigating the Nature of Palladium Chain-Walking in the Enantioselective Redox-Relay Heck Reaction of Alkenyl Alcohols>, Formula: C13H15F3N2O, the main research area is alkene palladium catalysis redox relay Heck arylation alkenylalc M06.

The mechanism of the redox-relay Heck reaction was investigated using deuterium-labeled substrates. Results support a pathway through a low energy palladium-alkyl intermediate that immediately precedes product formation, ruling out a tautomerization mechanism. DFT calculations of the relevant transition structures at the M06/LAN2DZ+f/6-31+G* level of theory show that the former pathway is favored by 5.8 kcal/mol. Palladium chain-walking toward the alc., following successive β-hydride eliminations and migratory insertions, is also supported in this study. The stereochem. of deuterium labels is determined, lending support that the catalyst remains bound to the substrate during the relay process and that both cis- and trans-alkenes form from β-hydride elimination.

Journal of Organic Chemistry published new progress about Cyclization. 1416819-91-4 belongs to class pyridine-derivatives, and the molecular formula is C13H15F3N2O, Formula: C13H15F3N2O.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Remya, Chandran; Dileep, K. V.; Koti Reddy, Eeda; Mantosh, Kumar; Lakshmi, Kesavan; Sarah Jacob, Reena; Sajith, Ayyiliyath M.; Jayadevi Variyar, E.; Anwar, Shaik; Zhang, Kam Y. J.; Sadasivan, C.; Omkumar, R. V. published the artcile< Neuroprotective derivatives of tacrine that target NMDA receptor and acetyl cholinesterase - Design, synthesis and biological evaluation>, SDS of cas: 329214-79-1, the main research area is aminotetrahydroacridine preparation NMDA receptor antagonist cholinesterase inhibition SAR docking; AChE, acetylcholinesterase; AChEIs, acetylcholinesterase inhibitors; AChT, acetylthiocholine; AD, Alzheimer’s disease; ADME, absorption, distribution, metabolism and excretion; Acetylcholinesterase; Alzheimer’s disease; BBB, blood brain barrier; Ca2+, calcium; ChE, Cholinesterases; DMEM, Dulbecco’s modified Eagle’s medium; DTNB, 5,5-dithiobis-(2-nitrobenzoic acid); ENM, elastic network modeling; ER, endoplasmic reticulum; FRET, fluorescence resonance energy transfer; G6PD, glucose-6-phosphate dehydrogenase; HBSS, Hank’s balanced salt solution; IP, intraperitoneal; LBD, Ligand binding domain; LC-MS, Liquid chromatography-mass spectrometry; LiCABEDS, Ligand Classifier of Adaptively Boosting Ensemble Decision Stumps; MAP2, microtubule associated protein 2; MD, Molecular dynamics; MTDLs; MTDLs, multi-target directed ligands; MWM, Morris water maze; NBM, neurobasal medium; NMA, normal mode analysis; NMDA receptor; NMDAR, N-methyl-D-aspartate receptor; Neuroprotection; OPLS, Optimized potential for liquid simulations; PBS, phosphate-buffered saline; PFA, paraformaldehyde; Polypharmacology; RMSD, root mean square deviation; SAR, structure-activity relationships; SD, standard deviation; SVM, support vector machine; Structure-based drug design; TBI, traumatic brain injury; TMD, transmembrane domain; Tacrine; h-NMDAR, human NMDAR; hAChE, human AChE; ppm, parts per million.

An novel high affinity multi-target directed ligands (MTDLs) against AChE and NMDAR, with reduced hepatotoxicity, performed in-silico structure-based modifications on tacrine, chem. synthesis of the derivatives and in-vitro validation of their activities. Nineteen such derivatives I [R = H, methylcarbamoyl, hydrazinecarbonyl, ethoxycarbonyl; R1 = 2-furanyl, 1-methylpyrazol-4-yl, 2-FC6H4, etc.] showed inhibition with IC50 values in the range of 18.53 ± 2.09 – 184.09 ± 19.23 nM against AChE and 0.27 ± 0.05 – 38.84 ± 9.64μM against NMDAR. Some of the selected compounds protected rat primary cortical neurons from glutamate induced excitotoxicity. Two of the tacrine derived MTDLs, I [R = H, R1 = 1-methylpyrazol-4-yl; R = H, R1 = 2-FC6H4] exhibited in-vivo efficacy in rats by protecting against behavioral impairment induced by administration of the excitotoxic agent, monosodium glutamate. Addnl., several of these synthesized compounds also exhibited promising inhibitory activitiy against butyrylcholinesterase. MTDL-201 I [R = H, R1 = 1-methylpyrazol-4-yl] was also devoid of hepatotoxicity in-vivo. Given the therapeutic potential of MTDLs in disease-modifying therapy, studies revealed several promising MTDLs among which I [R = H, R1 = 1-methylpyrazol-4-yl] appeared to be a potential candidate for immediate preclin. evaluations.

Computational and Structural Biotechnology Journal published new progress about Aminoacridines Role: PAC (Pharmacological Activity), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, SDS of cas: 329214-79-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pulcini, Alberto; Bollain, Juan; Sanz-Sanchez, Ignacio; Figuero, Elena; Alonso, Bettina; Sanz, Mariano; Herrera, David published the artcile< Clinical effects of the adjunctive use of a 0.03% chlorhexidine and 0.05% cetylpyridinium chloride mouth rinse in the management of peri-implant diseases: A randomized clinical trial>, Safety of 1-Hexadecylpyridin-1-ium chloride, the main research area is Campylobacter Prevotella preimplant disease chlorhexidine cetylpyridium; chlorhexidine; dental implant; mouth rinse; peri-implant diseases; peri-implant mucositis.

To evaluate the efficacy of a 0.03% chlorhexidine and 0.05% cetylpyridinium chloride mouth rinse, as an adjunct to professionally and patient-administered mech. plaque removal, in the treatment of peri-implant mucositis (PiM). Patients displaying PiM in, at least, one implant were included in this randomized, double-blinded, clin. trial. Subjects received professional prophylaxis (baseline and 6 mo) and were instructed to regular oral hygiene practices and to rinse, twice daily, with the test or placebo mouth rinses, during one year. Clin., radiog. and microbiol. outcomes were evaluated at baseline, 6 and 12 mo. Disease resolution was defined as absence of bleeding on probing (BOP). Data were analyzed by repeated measures ANOVA, Students t and chi-square tests. Fifty-four patients were included and 46 attended the final visit (22 in control and 24 in test group). In the test group, there was a 24.49% greater reduction in BOP at the buccal sites (95% confidence interval [3.65-45.34%]; p = 0.002) than in controls. About 58.3% of test implants and 50% controls showed healthy peri-implant tissues at final visit (p > 0.05). The use of the test mouth rinse demonstrated some adjunctive benefits in the treatment of PiM. Complete disease resolution could not be achieved in every case.

Journal of Clinical Periodontology published new progress about Campylobacter (rectus). 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Safety of 1-Hexadecylpyridin-1-ium chloride.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ager, E.; Chivers, G. E.; Suschitzky, H. published the artcile< Photolysis of pentachloropyridine and pentachloropyridine 1-oxide>, Related Products of 14121-36-9, the main research area is chloropyridine irradiation; lithium chloropyridine; substitution nucleophilic chloropyridine; cleavage chloropyridine oxide photolysis.

Irradiation of pentachloropyridine in dioxane, Et2O, or cyclohexane gave 2,3,4,6-tetrachloropyridine (I), but irradiation of pentachloropyridine N-oxide in CCl4 gave Cl2C:CClCCl:CClNCO. I and BuLi gave (tetrachloro-3-pyridyl)lithium. With nucleophilic reagents I underwent substitution reactions; e.g., I with NaOH-MeOH gave 61% 2,3,6-trichloro-4-methoxypyridine.

Journal of the Chemical Society, Chemical Communications published new progress about Ring opening. 14121-36-9 belongs to class pyridine-derivatives, and the molecular formula is C5HCl4N, Related Products of 14121-36-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Marrazzo, John-Paul R.; Chao, Allen; Li, Yajun; Fleming, Fraser F. published the artcile< Copper-Catalyzed Conjugate Additions to Isocyanoalkenes>, Related Products of 1416819-91-4, the main research area is isocyanoalkane preparation; isocyanoalkene nucleophile conjugate addition reaction catalyst copper.

A copper iodide-Pyox complex catalyzed the first conjugate addition of diverse sulfur, nitrogen, and carbon nucleophiles to isocyanoalkenes to gave isocyano(aryl)ethyl(sulfane/alkyl/imidazole/isoindoline-1,3-dione) I [Ar = 2-MeOC6H4, 4-PhC6H4, R = allylsulfanyl, imidazol-1-yl, cyano(diphenyl)methyl, etc.]. The anionic addition generates metalated isocyanoalkanes capable of SNi displacements, provided a rapid route to a series of functionalized, cyclic isocyanoalkanes II [R1 = 2-MeC6H4, 2-MeOC6H4, 4-PhC6H4, etc.; R2 = H, n-Pr, R3 = Me, Et, t-Bu] and III. The Cu(I)I-Pyox complex efficiently catalyzes a first-in-class conjugate addition affording a range of complex, functionalized isocyanoalkanes I, II and III that were otherwise challenging to synthesize while laying a foundation for catalytic reactions that maintain the isocyanide group.

Journal of Organic Chemistry published new progress about 1,3-Dicarbonyl compounds Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 1416819-91-4 belongs to class pyridine-derivatives, and the molecular formula is C13H15F3N2O, Related Products of 1416819-91-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Song, J. H.; Bae, S. M.; Lee, E. J.; Cho, J. H.; Jung, D. I. published the artcile< Formation of benzodiazepines and pyrazinylquinoxalines from aromatic and heteroaromatic ketones via deoximation>, Quality Control of 350-03-8, the main research area is benzodiazepine preparation; pyrazinylquinoxaline preparation.

In the course of present investigations, it was found that dichloroamine T could be an efficient reagent for the conversion of oximes into the corresponding carbonyl compounds Herein the synthesis of 1H-1,5-benzodiazepine derivatives I [R = pyrrol-2-yl, 2-pyridinyl, 2-thienyl, etc.] from heteroaromatic ketones and acetone equivalent was obtained using dichloroamine-T. On the other hand, when diamine (1,2-phenylene diamine or 1,2-naphthalene diamine) with heterocyclic ketone (acetyl pyridine or acetyl pyrazines) in the presence of concentrate HCl and SiO2 was refluxed, quinoxaline derivatives, II [R = 2-pyrazinyl, 2-pyridinyl, 2-thienyl, etc.] as yellow crystalline solids were isolated in high yields.

Asian Journal of Chemistry published new progress about Benzodiazepines Role: SPN (Synthetic Preparation), PREP (Preparation). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Quality Control of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pillalamarri, Vijaykumar; Reddy, Chilakala Gangi; Bala, Sandeep Chowdary; Jangam, Aruna; Kutty, Vinny Vinod; Addlagatta, Anthony published the artcile< Methionine aminopeptidases with short sequence inserts within the catalytic domain are differentially inhibited: Structural and biochemical studies of three proteins from Vibrio spp.>, Name: 2,2′-Bipyridine, the main research area is methionine aminopeptidase inhibitor drug target; Cholera; Drug discovery; MetAP; Methionine aminopeptidase; Vibrio.

Methionine aminopeptidases (MetAPs) have been recognized as drug targets and have been extensively studied for discovery of selective inhibitors. MetAPs are essential enzymes in all living cells. While most prokaryotes contain a single gene, some prokaryotes and all eukaryotes including human have redundancy. Due to the similarity in the active sites of the MetAP enzyme between the pathogens and human limited the success of discovering selective inhibitors. We recently have discovered that MetAPs with small inserts within the catalytic domain to have different susceptibilities against some inhibitors compared to those that do not have. Using this clue we used bioinformatic tools to identify new variants of MetAPs with inserts in pathogenic species. Two new isoforms were identified in Vibrio species with two and three inserts in addition to an isoform without any insert. Multiple sequence alignment suggested that inserts are conserved in several of the Vibrio species. Two of the three inserts are common between two and three insert isoforms. One of the inserts is identified to have “”NNKNN”” motif that is similar to well-characterized quorum sensing peptide, “”NNWNN””. Another insert is predicted to have a posttranslational modification site. Three Vibrio proteins were cloned, expressed, purified, enzyme kinetics established and inhibitor screening has been performed. Several of the pyridinylpyrimidine derivatives selectively inhibited MetAPs with inserts compared to those that do not have, including the human enzyme. Crystal structure and mol. modeling studies provide the mol. basis for selective inhibition.

European Journal of Medicinal Chemistry published new progress about Crystal structure. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Name: 2,2′-Bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem