Day: October 18, 2022

Van der Plas, Steven E.; Kelgtermans, Hans; Mammoliti, Oscar; Menet, Christel; Tricarico, Giovanni; De Blieck, Ann; Joannesse, Caroline; De Munck, Tom; Lambin, Dominique; Cowart, Marlon; Dropsit, Sebastien; Martina, Sebastien L. X.; Gees, Maarten; Wesse, Anne-Sophie; Conrath, Katja; Andrews, Martin published the artcile< Discovery of GLPG2451, a Novel Once Daily Potentiator for the Treatment of Cystic Fibrosis>, Formula: C6H5BrN2O2, the main research area is preparation GLPG2451 analog CFTR potentiator cystic fibrosis structure.

Cystic fibrosis (CF) is a life-threatening recessive genetic disease caused by mutations in the gene encoding for the cystic fibrosis transmembrane conductance regulator (CFTR). With the discovery of Ivacaftor and Lumacaftor, it has been shown that administration of one or more small mols. can partially restore the CFTR function. Correctors are small mols. that enhance the amount of CFTR on the cell surface, while potentiators improve the gating function of the CFTR channel. Herein, the discovery and optimization of a novel potentiator series are described. Scaffold hopping, focusing on retaining the different intramol. contacts, was crucial in the whole discovery process to identify a novel series devoid of genotoxic liabilities. From this series, the clin. candidate GLPG2451 was selected based on its pharmacokinetic properties, allowing QD dosing and based on its low CYP induction potential.

Journal of Medicinal Chemistry published new progress about CFTR (cystic fibrosis transmembrane conductance regulator) Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 870997-85-6 belongs to class pyridine-derivatives, and the molecular formula is C6H5BrN2O2, Formula: C6H5BrN2O2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mujahed, Shrouq; Hey-Hawkins, Evamarie; Gelman, Dmitri published the artcile< A High-Valent Ru-PCP Pincer Catalyst for Hydrogenation of Carbonyl and Carboxyl Compounds under Molecular Hydrogen>, HPLC of Formula: 350-03-8, the main research area is high valent ruthenium phosphorus carbon PCP pincer catalyst hydrogenation; carbonyl carboxyl nitrile compound hydrogenation catalyst preparation; crystal mol structure ruthenium phosphorus carbon PCP pincer complex; cooperative catalysis; esters; high-valent ruthenium; hydrogenation; pincer complexes.

Low-valent metals traditionally dominate the domain of catalytic hydrogenation. However, metal-ligand cooperating (MLC) catalytic systems, operating through heterolytic H-H bond splitting by a Lewis acidic metal and a basic ligand site, do not require an electron-rich metal. On the contrary, high-valent metals that induce weaker back donation facilitate heterolytic bond activation. Here authors report, for the first time, the efficient hydrogenation of carbonyl and carboxyl compounds under mol. hydrogen catalyzed by a structurally well-defined RuIV catalyst bearing a bifunctional PCP pincer ligand. The catalyst exhibits reactivity toward mol. hydrogen superior to that of the low-valent analog and allows hydrogen activation even at room temperature

Chemistry – A European Journal published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, HPLC of Formula: 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Shvydkiy, Nikita V.; Vyhivskyi, Oleksandr; Nelyubina, Yulia V.; Perekalin, Dmitry S. published the artcile< Design of Manganese Phenol Pi-complexes as Shvo-type Catalysts for Transfer Hydrogenation of Ketones>, Formula: C7H7NO, the main research area is manganese phenol pi complex preparation; secondary alc preparation; ketone transfer hydrogenation manganese complex catalyst.

The ability of the manganese pi-complexes to act as Shvo-type catalysts for transfer hydrogenation of ketones to afford secondary alcs. RCH(OH)(R1) [R = Ph, 3-pyridyl, 1-naphthyl, etc.; R1 = Me, n-Pr, Ph, etc.] was explored. DFT calculations suggested that the transfer of hydrogen atoms from the hypothetical intermediate [(C6Me3H2OH)Mn(CO)2H] to acetone had low activation barrier of 10.9 kcal mol-1. Exptl. a number of ketones with various functional groups were successfully reduced in isopropanol in the presence of the complex [(C6Me3H2OH)Mn(CO)3]BF4 (1 mol %) and tBuOK (75 mol %). However, further investigation revealed that the reduction was mainly promoted by base rather than the manganese complex.

ChemCatChem published new progress about Ketones Role: RCT (Reactant), RACT (Reactant or Reagent). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Formula: C7H7NO.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rajendiran, Meenakshi; Trivedi, Harsh M.; Chen, Dandan; Gajendrareddy, Praveen; Chen, Lin published the artcile< Recent development of active ingredients in mouthwashes and toothpastes for periodontal diseases>, Recommanded Product: 1-Hexadecylpyridin-1-ium chloride, the main research area is review cetylpyridinium chloride mouthwash toothpaste periodontal disease; active ingredients; gingivitis; mouthwashes; periodontal diseases; periodontitis; plaque; toothpastes.

A review. Periodontal diseases like gingivitis and periodontitis are primarily caused by dental plaque. Several antiplaque and anti-microbial agents have been successfully incorporated into toothpastes and mouthwashes to control plaque biofilms and to prevent and treat gingivitis and periodontitis. The aim of this article was to review recent developments in the antiplaque, anti-gingivitis, and anti-periodontitis properties of some common compounds in toothpastes and mouthwashes by evaluating basic and clin. studies, especially the ones published in the past five years. The common active ingredients in toothpastes and mouthwashes included in this review are chlorhexidine, cetylpyridinium chloride, sodium fluoride, stannous fluoride, stannous chloride, zinc oxide, zinc chloride, and two herbs-licorice and curcumin. We believe this comprehensive review will provide useful up-to-date information for dental care professionals and the general public regarding the major oral care products on the market that are in daily use.

Molecules published new progress about Formulation active agents. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Recommanded Product: 1-Hexadecylpyridin-1-ium chloride.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Tatipaka, Hari Babu; Gillespie, J. Robert; Chatterjee, Arnab K.; Norcross, Neil R.; Hulverson, Matthew A.; Ranade, Ranae M.; Nagendar, Pendem; Creason, Sharon A.; McQueen, Joshua; Duster, Nicole A.; Nagle, Advait; Supek, Frantisek; Molteni, Valentina; Wenzler, Tanja; Brun, Reto; Glynne, Richard; Buckner, Frederick S.; Gelb, Michael H. published the artcile< Substituted 2-Phenylimidazopyridines: A New Class of Drug Leads for Human African Trypanosomiasis>, COA of Formula: C5H6FN3, the main research area is phenylimidazopyridine derivative preparation SAR human trypanosomiasis.

A phenotypic screen of a compound library for antiparasitic activity on Trypanosoma brucei, the causative agent of human African trypanosomiasis, led to the identification of substituted 2-(3-aminophenyl)-oxazolopyridines as a starting point for hit-to-lead medicinal chem. A total of 110 analogs were prepared, which led to the identification of I, a substituted 2-(3-aminophenyl)-imidazopyridine. This compound showed antiparasitic activity in vitro with an EC50 of 2 nM and displayed reasonable druglike properties when tested in a number of in vitro assays. I was orally bioavailable and displayed good plasma and brain exposure in mice. I cured mice infected with Trypanosoma brucei when dosed orally down to 2.5 mg/kg. Given its potent antiparasitic properties and its ease of synthesis, I represents a new lead for the development of drugs to treat human African trypanosomiasis.

Journal of Medicinal Chemistry published new progress about Drug bioavailability. 212268-13-8 belongs to class pyridine-derivatives, and the molecular formula is C5H6FN3, COA of Formula: C5H6FN3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Aramesh-Boroujeni, Zahra; Bordbar, Abdol-Khalegh; Khorasani-Motlagh, Mozhgan; Sattarinezhad, Elham; Fani, Najme; Noroozifar, Meissam published the artcile< Synthesis, characterization, and binding assessment with human serum albumin of three bipyridine lanthanide(III) complexes>, HPLC of Formula: 366-18-7, the main research area is bipyridine lanthanide complex HAS mol docking binding affinity; Bpy, 2,2′-bipyridine; BpyDy, bipyridine dysprosium(III); BpyLn, bipyridine lanthanide; BpyTb, bipyridine terbium(III); binding interaction; fluorescence spectroscopy; human serum albumin; lanthanide complex; molecular docking.

In this work, the terbium(III), dysprosium(III), and ytterbium(III) complexes containing 2, 2′-bipyridine (bpy) ligand have been synthesized and characterized using CHN elemental anal., FT-IR, UV-Vis and 1H-NMR techniques and their binding behavior with human serum albumin (HSA) was studied by UV-Vis, fluorescence and mol. docking examinations The exptl. data indicated that all three lanthanide complexes have high binding affinity to HSA with effective quenching of HSA fluorescence via static mechanism. The binding parameters, the type of interaction, the value of resonance energy transfer, and the binding distance between complexes and HSA were estimated from the anal. of fluorescence measurements and Forster theory. The thermodn. parameters suggested that van der Waals interactions and hydrogen bonds play an important role in the binding mechanism. While, the energy transfer from HSA mols. to all these complexes occurs with high probability, the order of binding constants (BpyTb > BpyDy > BpyYb) represents the importance of radius of Ln3+ ion in the complex-HSA interaction. The results of mol. docking calculation and competitive experiments assessed site 3 of HSA, located in subdomain IB, as the most probable binding site for these ligands and also indicated the microenvironment residues around the bound mentioned complexes. The computational results kept in good agreement with exptl. data.

Journal of Biomolecular Structure and Dynamics published new progress about Binding energy. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, HPLC of Formula: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Iddon, Brian; Meth-Cohn, Otto; Suschitzky, Hans; Taylor, Jack A.; Wakefield, Basil J. published the artcile< Carbon-13 NMR spectra of polychloropyridines; structural assignments>, Reference of 14121-36-9, the main research area is carbon NMR chloropyridine; pyridine chloro carbon NMR.

13C NMR spectroscopy is used to distinguish between the structures of 2- and 4-substituted tetrachloropyridines. Assignments are based on comparison with pyridine, nuclear Overhauser effects, off-resonance proton decoupling, empirical chem. shift increments, and 13C-19F coupling constants

Tetrahedron Letters published new progress about NMR (nuclear magnetic resonance). 14121-36-9 belongs to class pyridine-derivatives, and the molecular formula is C5HCl4N, Reference of 14121-36-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Stockmann, Vegar; Fiksdahl, Anne published the artcile< Synthesis of novel 1,7-naphthyridines by Friedlaender condensation of pyridine substrates>, Recommanded Product: 3-Aminoisonicotinaldehyde, the main research area is naphthyridine pyridinyl aryl preparation Friedlaender.

The general ability of appropriate pyridyl compounds (aldehyde or ketone) to undergo Friedlaender condensation to give different 1,7-naphthyridines has been demonstrated. 2-(4-Pyridinyl)-4-methyl-1,7-naphthyridine was prepared from 3-amino-4-acetylpyridine (I) and 4-acetylpyridine (82%). The Friedlaender self-condensation of I is also reported. 2-(3-Aminopyridin-4-yl)-4-methyl-1,7-naphthyridine was obtained in 97% yield. 2-Aryl- and 2,3-diaryl-1,7-naphthyridines were prepared from 3-aminoisonicotinaldehyde (II) and aryl ketones (28-71%). The key substrates I and II are readily available via the improved pyridine nitration method.

Journal of Heterocyclic Chemistry published new progress about Friedlander synthesis. 55279-29-3 belongs to class pyridine-derivatives, and the molecular formula is C6H6N2O, Recommanded Product: 3-Aminoisonicotinaldehyde.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Bourbeau, Matthew P.; Ashton, Kate S.; Yan, Jie; St. Jean, David J. published the artcile< Nonracemic Synthesis of GK-GKRP Disruptor AMG-3969>, Recommanded Product: tert-Butyl (5-aminopyridin-2-yl)carbamate, the main research area is AMG3969 nonracemic preparation glucokinase glucokinase regulatory protein disruptor.

A nonracemic synthesis of the glucokinase-glucokinase regulatory protein disruptor AMG-3969 (I) is reported. Key features of the synthetic approach are an asym. synthesis of the 2-alkynyl piperazine core via a base-promoted isomerization and a revised approach to the synthesis of the aminopyridinesulfonamide with an improved safety profile.

Journal of Organic Chemistry published new progress about Isomerization. 220731-04-4 belongs to class pyridine-derivatives, and the molecular formula is C10H15N3O2, Recommanded Product: tert-Butyl (5-aminopyridin-2-yl)carbamate.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Halevas, Eleftherios; Pekou, Anna; Papi, Rigini; Mavroidi, Barbara; Hatzidimitriou, Antonios G.; Zahariou, Georgia; Litsardakis, George; Sagnou, Marina; Pelecanou, Maria; Pantazaki, Anastasia A. published the artcile< Synthesis, physicochemical characterization and biological properties of two novel Cu(II) complexes based on natural products curcumin and quercetin>, Formula: C10H8N2, the main research area is copper curcumin quercetin bipyridine complex preparation crystal mol structure; antioxidant antiinflammatory DNA binding cleavage copper curcumin quercetin complex; Antioxidant activity; Copper complexes; Curcumin; DNA plasmid binding; Quercetin.

Curcumin and quercetin are two of the most prominent natural polyphenols with a diverse spectrum of beneficial properties, including antioxidant, anti-inflammatory, chemopreventive and chemotherapeutic activity. The complexation of these natural products with bioactive transition metal ions can lead to the generation of novel metallodrugs with enhanced biochem. and pharmacol. activities. Within this framework, the synthesis and detailed structural and physicochem. characterization of two novel complex assemblies of Cu(II) with curcumin and quercetin and the ancillary aromatic chelator 2,2′-bipyridine is presented. The two complexes represent the only crystallog. characterized structures with Cu(II) as the central metal ion and curcumin or quercetin as the ligands. The new complexes were biol. evaluated in vitro for their antioxidant potential, both exhibiting strong scavenging activity in the 2,2-diphenyl-1-picrylhydrazyl assay, and their plasmid DNA binding/cleavage properties. Both complexes appear to be non-toxic in the eukaryotic exptl. model Saccharomyces cerevisiae and merit further investigation of their pharmacol. profile.

Journal of Inorganic Biochemistry published new progress about Anti-inflammatory agents. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Formula: C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem