Month: October 2022

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

Mancuso, Raffaella; Novello, Mariangela; Russo, Patrizio; Palumbo Piccionello, Antonio; Gabriele, Bartolo published the artcile< Iodolactonization of 3-Alkynylthiophene-2-Carboxylic and 3-Alkynylpicolinic Acids for the Synthesis of Fused Heterocycles>, Name: Methyl 3-bromo-2-pyridinecarboxylate, the main research area is fused heterocycle preparation iodolactonization alkynylthiophenecarboxylate alkynylpicolinate.

The iodolactonization of 3-alkynylthiophene-2-carboxylic acids and 3-alkynylpicolinic acids was studied. Using I2 as the iodine source and NaHCO3 as the base in MeCN, the process took place smoothly to afford thienopyranones and pyranopyridinones, resp., from 6-endo-dig cyclization. The method also worked nicely for the transformation of 2-(phenylethynyl)thiophene-3-carboxylic acid and 3-(phenylethynyl)isonicotinic acid into 7-iodo-6-phenyl-4H-thieno[3,2-c]pyran-4-one and 4-iodo-3-phenyl-1H-pyrano[4,3-c]pyridin-1-one, resp. Although with some 3-alkynylpicolinic acids the process led to a mixture of the 6-endo-dig and 5-exo-dig products, it could be still made selective toward the pyranopyridinone compound working in 1-ethyl-3-methylimidazolium Et sulfate as the solvent. However, the exclusive formation of the 5-exo-dig product was observed in N-ethyl-N-methylmorpholinium dicyanamide starting from 3-(3,3-dimethylbut-1-yn-1-yl)picolinic acid. Some representative iodinated thienopyridinone products were successfully used as substrates for Pd-catalyzed Suzuki and Sonogashira reactions.

European Journal of Organic Chemistry published new progress about Carboxylic acids Role: RCT (Reactant), RACT (Reactant or Reagent) (3-Alkynylthiophene-2-Carboxylic Acids). 53636-56-9 belongs to class pyridine-derivatives, and the molecular formula is C7H6BrNO2, Name: Methyl 3-bromo-2-pyridinecarboxylate.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

De Bon, Francesco; Abreu, Carlos M. R.; Serra, Armenio C.; Gennaro, Armando; Coelho, Jorge F. J.; Isse, Abdirisak A. published the artcile< Catalytic Halogen Exchange in Supplementary Activator and Reducing Agent Atom Transfer Radical Polymerization for the Synthesis of Block Copolymers>, Related Products of 1762-41-0, the main research area is halogen exchange activator reducing agent ATRP block copolymer; ATRP; block copolymerization; catalytic halogen exchange; copper catalyst; supplemental activator.

Synthesis of block copolymers (BCPs) by catalytic halogen exchange (cHE) is reported, using supplemental activator and reducing agent Atom Transfer Radical Polymerization (SARA ATRP). The cHE mechanism is based on the use of a small amount of a copper catalyst in the presence of a suitable excess of halide ions, for the synthesis of block copolymers from macroinitiators with monomers of mismatching reactivity. cHE overcomes the problem of inefficient initiation in block copolymerizations in which the second monomer provides dormant species that are more reactive than the initiator. Model macroinitiators with low dispersity are prepared and extended to afford well-defined block copolymers of various compositions Combined cHE/SARA ATRP is therefore a simple and potent polymerization tool for the copolymerization of a wide range of monomers allowing the production of tailored block copolymers.

Macromolecular Rapid Communications published new progress about Atom transfer radical polymerization catalysts. 1762-41-0 belongs to class pyridine-derivatives, and the molecular formula is C10H6Cl2N2, Related Products of 1762-41-0.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sokolov, V. B.; Aksinenko, A. Yu. published the artcile< Fluorinated triazinones from hexafluoroacetone ethoxycarbonylimine>, SDS of cas: 188577-68-6, the main research area is hexafluoroacetone ethoxycarbonylimine cyclocondensation binucleophile; trifluoromethyltriazinone derivative preparation.

The behavior of hexafluoroacetone ethoxycarbonylimine in cyclocondensation with various binucleophiles of the amidine type, viz., amino derivatives of N- and N,S-heterocycles, was studied. A preparative method for the synthesis of previously unknown annelated 2,2-bis(trifluoromethyl)-1,3,5-triazinones was developed.

Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya) published new progress about Cyclocondensation reaction. 188577-68-6 belongs to class pyridine-derivatives, and the molecular formula is C5H4Cl2N2, SDS of cas: 188577-68-6.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wu, Shijian; Mohammadigoushki, Hadi published the artcile< Linear versus branched: flow of a wormlike micellar fluid past a falling sphere>, Quality Control of 123-03-5, the main research area is linear branched microstructure micellar fluid flow falling sphere.

We report experiments on flow of wormlike micellar solutions past a falling sphere. By increasing the salt-to-surfactant concentration ratio, and beyond a viscosity peak, wormlike micelles experience a transition from linear to branched microstructure. Two viscoelastic wormlike micelles with salt to surfactant concentrations on each side of the viscosity peak are considered. Our results indicate three significant differences in flows of branched and linear micelles. First, while the sphere drag correction factor rapidly decreases upon increasing Weissenberg number in linear micelles, it shows an apparent local maximum at Wi ≈ 3 in branched micelles. Second, despite its high viscoelasticity, the time-averaged flow of branched micelles around the falling sphere exhibits a fore-and-aft symmetry, while a strong neg. wake is observed in linear micelles at relatively weaker flows. Third, branched micelles exhibit a stronger flow-induced birefringence than linear micelles in an otherwise identical condition. Our hypothesis is that subject to strong flows around the falling sphere, branched micelles can relax much more efficiently than linear wormlike micelles through sliding of the branched junctions. This addnl. stress relaxation mechanism may facilitate micellar orientation, produce a marginal sphere drag reduction and a Newtonian-like flow profile around the falling sphere. Finally, unsteady flow is observed in both linear and branched micellar solutions beyond some critical thresholds of the extensional Weissenber number Our results corroborate a recently proposed criterion for onset of instability in flow of wormlike micelles past a falling sphere, thereby, suggesting that micellar branching does not affect the mechanism of flow instability.

Soft Matter published new progress about Dimensionless number, Weissenberg. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Quality Control of 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem