Month: October 2022

He, Yuan-Chun; Xiao, Li-Yuan; Yuan, Zi-Han; Zhang, Jie; Wang, Yan; Xu, Na published the artcile< Two coordination polymers constructed by 5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid and 2,2′-bipyridine: syntheses, structures and luminescence properties>, Electric Literature of 366-18-7, the main research area is carboxyphenoxy methyl benzene dicarboxylic acid bipyridine luminescence; 2,2′-bipyridine; cadmium; coordination polymer; crystal structure; manganese; tricarboxylic acid.

Coordination polymers (CPs) have attracted increasing interest in recent years. In this work, two new CPs, namely poly[[aquabis(2,2′-bipyridine-κ2N,N′){μ3-5-[(4-carboxylatophenoxy)methyl]benzene-1,3-dicarboxylato-κ4O1,O1′:O3:O5}(μ-formato-κ3O:O,O′)dicadmium(II)] monohydrate], {[Cd2(C16H9O7)(HCO2)(C10H8N2)2(H2O)]·H2O}n (1), and poly[[(2,2′-bipyridine-κ2N,N′){μ3-5-[(4-carboxylphenoxy)methyl]benzene-1,3-dicarboxylato-κ4O1,O1′:O3:O5}manganese(II)] sesquihydrate], {[Mn(C16H10O7)(C10H8N2)]·1.5H2O}n (2), have been prepared using the tricarboxylic acid 5-[(4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid and 2,2′-bipyridine under hydrothermal conditions. CP 1 displays a two-dimensional layer structure which is further extended into a three-dimensional (3D) supramol. structure via intermol. π-π interactions, while CP 2 shows a different 3D supramol. structure extended from one-dimensional ladder chains by intermol. π-π interactions. In addition, the solid-state luminescence spectra of 1 and 2 were studied at room temperature

Acta Crystallographica, Section C: Structural Chemistry published new progress about Crystallography. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Electric Literature of 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Josa-Cullere, Laia; Cogswell, Thomas J.; Georgiou, Irene; Jay-Smith, Morgan; Jackson, Thomas R.; Bataille, Carole J. R.; Davies, Stephen G.; Vyas, Paresh; Milne, Thomas A.; Wynne, Graham M.; Russell, Angela J. published the artcile< Identification and Preliminary Structure-Activity Relationship Studies of 1,5-Dihydrobenzo[e][1,4]oxazepin-2(3H)-ones That Induce Differentiation of Acute Myeloid Leukemia Cells In Vitro>, Name: 3-Amino-5-bromopyridine-2-carboxylic Acid, the main research area is dihydrobenzooxazepinone preparation SAR acute myeloid leukemia pharmacokinetic; CD11b; acute myeloid leukemia; benzooxazepinones; differentiation; phenotypic screen.

A series of 1,5-dihydrobenzo[e][1,4]oxazepin-2(3H)-one hit compounds e.g. I was identified and synthesized. Herein, we report the hit validation in vitro, structure-activity relationship (SAR) studies and the pharmacokinetic profiles for selected compounds

Molecules published new progress about Acute myeloid leukemia. 870997-85-6 belongs to class pyridine-derivatives, and the molecular formula is C6H5BrN2O2, Name: 3-Amino-5-bromopyridine-2-carboxylic Acid.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pang, Maofu; Shi, Le-Le; Xie, Yufang; Geng, Tianyi; Liu, Lan; Liao, Rong-Zhen; Tung, Chen-Ho; Wang, Wenguang published the artcile< Cobalt-Catalyzed Selective Dearomatization of Pyridines to N-H 1,4-Dihydropyridines>, Computed Properties of 93-60-7, the main research area is pyridine cobalt catalyst chemoselective regioselective dearomatization; dihydropyridine preparation.

Catalytic reduction of pyridines to N-H 1,4-dihydropyridines was exceptionally challenging because they are essential intermediates to form tetrahydropyridines. Using a facile dihydrogen source H3N·BH3 to activate the pyridine ring in situ, was achieved by selective transfer hydrogenation of nicotinate derivatives to N-H 1,4-dihydropyridines by cobalt-amido cooperative catalysis. The reactions operated smoothly under mild conditions to produce a variety of N-H 1,4-dihydropyridines with high chemo- and regioselectivity. This catalytic method also provides a practical protocol to regenerate Hantzsch analogs after delivery of H2.

ACS Catalysis published new progress about Chemoselectivity. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Computed Properties of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Xinfeng; Liu, Huanhuan; Xie, Caixia; Zhou, Feiyu; Ma, Chen published the artcile< Terminal methyl as a one-carbon synthon: Synthesis of quinoxaline derivatives via radical-type transformation>, Recommanded Product: 2-Amino-3-nitro-6-picoline, the main research area is pyrroloquinoxaline preparation; pyrrolylaniline carbon source carbon hydrogen activation oxidative cyclization iron; indoloquinoxaline preparation; indolylaniline carbon source carbon hydrogen activation oxidative cyclization iron.

An iron-promoted method for the construction of pyrrolo[1,2-a]quinoxaline derivatives I [R1 = H, 7-Me, 7-Br, 8-Cl, etc., R2 = H, Me, X, Y = CH, N] and indolo[1,2-a]quinaxaline derivatives II [R3 = H, 3-F, 2-OMe, etc., R4 = H, Me] was developed via sp3 C-H activation and oxidative cyclization of pyrrolyl-anilines/indolyl-anilines and various carbon sources. This method has many advantages including the availability of raw materials, simple operation, reaction efficiency, universal solvent applicability and wide substrate scope.

New Journal of Chemistry published new progress about Anilines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Recommanded Product: 2-Amino-3-nitro-6-picoline.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Liu, Zhong; He, Jia-Hao; Zhang, Ming; Shi, Zhu-Jun; Tang, Han; Zhou, Xin-Yue; Tian, Jun-Jie; Wang, Xiao-Chen published the artcile< Borane-Catalyzed C3-Alkylation of Pyridines with Imines, Aldehydes, or Ketones as Electrophiles>, Product Details of C7H7NO2, the main research area is C3 selective pyridine preparation regioselective; pyridine imine aldehyde ketone alkylation borane catalyst.

Achieving C3-selective pyridine functionalization is a longstanding challenge in organic chem. The existing methods, including electrophilic aromatic substitution and C-H activation, often require harsh reaction conditions and excess pyridine and generate multiple regioisomers. Herein, authors report a method for borane-catalyzed tandem reactions that result in exclusively C3-selective alkylation of pyridines. These tandem reactions consist of pyridine hydroboration, nucleophilic addition of the resulting dihydropyridine to an imine, an aldehyde, or a ketone, and subsequent oxidative aromatization. Because the pyridine is the limiting reactant and the reaction conditions are mild, this method constitutes a practical tool for late-stage functionalization of structurally complex pharmaceuticals bearing a pyridine moiety.

Journal of the American Chemical Society published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Product Details of C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kulkarni, Santosh S.; Newman, Amy Hauck published the artcile< Discovery of heterobicyclic templates for novel metabotropic glutamate receptor subtype 5 antagonists>, Recommanded Product: 2-Amino-3-nitro-6-picoline, the main research area is quinoline benzothiazole preparation glutamate receptor antagonist SAR; pyridothiazole imidazopyridine preparation glutamate receptor antagonist SAR.

Investigation of a series of heterobicyclic compounds with essential pharmacophoric features of the metabotropic glutamate receptor 5 (mGluR5) antagonists MPEP and MTEP provided novel structural templates with sub-micromolar affinities at the mGluR5. Compound I showed antagonist activity (IC50 = 0.26 μM) in the functional assay measuring hydrolysis of phosphoinositide and may provide a new lead for further SAR investigation.

Bioorganic & Medicinal Chemistry Letters published new progress about Metabotropic glutamate receptors, group I, mGluR5 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Recommanded Product: 2-Amino-3-nitro-6-picoline.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Bhattacharya, Ritwick; Daoud, Ismail; Chatterjee, Arnab; Chatterjee, Soumendranath; Saha, Nimai Chandra published the artcile< An integrated in silico and in vivo approach to determine the effects of three commonly used surfactants sodium dodecyl sulphate, cetylpyridinium chloride and sodium laureth sulphate on growth rate and hematology in Cyprinus carpio L>, SDS of cas: 123-03-5, the main research area is Cyprinus carpio sodium dodecyl sulfate cetylpyridinium chloride hematol; Homology modeling; erythropoietin; hydrogen bond; hydrophobic interaction; molecular docking; somatotropin.

The purpose of this work is to evaluate the homol. modeling, in silico prediction, and characterization of somatotropin and erythropoietin from Cyprinus carpio as well as mol. docking and simulation experiments between the modeled proteins and surfactants sodium dodecyl sulfate (SDS), sodium laureth sulfate (SLES) and cetylpyridinium chloride (CPC). Using the best fit template structure, homol. modeling of somatotropin and erythropoietin of Cyprinus carpio resp. was conducted. The model structures were improved further with 3Drefine, and the final 3D structures were verified with PROCHEK, ERRATA and ProQ. The physiochem., as well as the stereochem. parameters of the modeled proteins, were evaluated using ExPASy’s ProtParam. Mol. docking calculations, protein-ligand interactions, and protein flexibility anal. were carried out to determine the binding pattern of each ligand to the targeted proteins and their effect on the overall proteins’ conformation. Our in silico anal. showed that hydrophobic interactions with the active site amino acid residues of the modeled proteins (somatotropin and erythropoietin) were more prevalent than hydrogen bonds and salt bridges that affect the flexibility and stability of the somatotropin and erythropoietin as revealed from our protein flexibility anal. The in vivo anal. showed that sublethal concentrations of SDS, SLES, and CPC neg. affected the growth and hematol. parameters of Cyprinus carpio. Hence, it may be inferred from the study that the alterations in the flexibility of somatotropin and erythropoietin of Cyprinus carpio upon addition of SDS, CPC and SLES might be attributable to the reduction in growth and hematol. parameters.

Toxicology Mechanisms and Methods published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, SDS of cas: 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Dill, Ryan D.; Portillo, Romeo I.; Shepard, Samuel G.; Shores, Matthew P.; Rappe, Anthony K.; Damrauer, Niels H. published the artcile< Long-Lived Mixed 2MLCT/MC States in Antiferromagnetically Coupled d3 Vanadium(II) Bipyridine and Phenanthroline Complexes>, Product Details of C10H8N2, the main research area is antiferromagnetically Vanadium bipyridine phenanthroline complex; DFT Long Lived Mixed MLCT MC States; time resolved spectroscopy support spectroelectrochem computational; electronic spectroscopy Antiferromagnetic Vanadium Bipyridine Phenanthroline Complexes.

Exploration of [V(bpy)3]2+ and [V(phen)3]2+ (bpy = 2,2′-bipyridine; phen = 1,10-phenanthroline) using electronic spectroscopy reveals an ultrafast excited-state decay process and implicates a pair of low-lying doublets with mixed metal-to-ligand charge-transfer (MLCT) and metal-centered (MC) character. Transient absorption (TA) studies of the vanadium(II) species probing in the visible and near-IR, in combination with spectroelectrochem. techniques and computational chem., lead to the conclusion that after excitation into the intense and broad visible 4MLCT ← 4GS (ground-state) absorption band (ε400-700 nm = 900-8000 M-1 cm-1), the 4MLCT state rapidly (τisc < 200 fs) relaxes to the upper of two doublet states with mixed MLCT/MC character. Electronic interconversion (τ ~2.5-3 ps) to the long-lived excited state follows, which we attribute to formation of the lower mixed state. Following these initial dynamics, GS recovery ensues with τ = 430 ps and 1.6 ns for [V(bpy)3]2+ and [V(phen)3]2+, resp. This stands in stark contrast with isoelectronic [Cr(bpy)3]3+, which rapidly forms a long-lived doublet metal-centered (2MC) state following photoexcitation and lacks strong visible GS absorption character. 2MLCT character in the long-lived states of the vanadium(II) species produces geometric distortion and energetic stabilization, both of which accelerate nonradiative decay to the GS compared to [Cr(bpy)3]3+, where the GS and 2MC are well nested. These conclusions are significant because (i) long-lived states with MLCT character are rare in first-row transition-metal complexes and (ii) the presence of a 2MLCT state at lower energy than the 4MLCT state has not been previously considered. The spin assignment of charge-transfer states in open-shell transition-metal complexes is not trivial; when metal-ligand interaction is strong, low-spin states must be carefully considered when assessing reactivity and decay from electronic excited states. Metal-to-ligand charge-transfer (MLCT) states of vanadium(II) polypyridyl complexes are characterized by antiferromagnetic coupling, leading to exceptions to Hund′s rule of maximum multiplicity. Time-resolved spectroscopy, with support from spectroelectrochem. and computational studies, suggests mixing of the low-spin 2MLCT with doublet metal-centered states. This should be considered for the development of related complexes for photoredox catalysis. Inorganic Chemistry published new progress about Antiferromagnetic materials. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Product Details of C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Buettelmann, Bernd; Alanine, Alexander; Bourson, Anne; Gill, Ramanjit; Heitz, Marie-Paule; Mutel, Vincent; Pinard, Emmanuel; Trube, Gerhard; Wyler, Rene published the artcile< 2-Styrylpyridines and 2-(3,4-dihydro-naphthalen-2-yl)pyridines as potent NR1/2B subtype selective NMDA receptor antagonists>, Application of C6H7BrN2, the main research area is styryl pyridine preparation NMDA receptor antagonist SAR; structure activity relationship NMDA receptor antagonist styryl pyridine; naphthalenyl pyridine preparation NMDA receptor antagonist SAR.

A series of 2-styryl-pyridines, e.g. I, and 2-(3,4-dihydro-naphthalen-2-yl)pyridines, e.g. II, was prepared and evaluated as NR1/2B subtype selective NMDA receptor antagonists. The SAR developed in this series resulted in the discovery of high affinity antagonists that are selective (vs. α1 and M1 receptors) and are active in vivo.

Chimia published new progress about NMDA receptor antagonists. 79055-59-7 belongs to class pyridine-derivatives, and the molecular formula is C6H7BrN2, Application of C6H7BrN2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Brunello, Giulia; Becker, Kathrin; Scotti, Luisa; Drescher, Dieter; Becker, Juergen; John, Gordon published the artcile< The Effects of Three Chlorhexidine-Based Mouthwashes on Human Osteoblast-Like SaOS-2 Cells. An In Vitro Study>, Name: 1-Hexadecylpyridin-1-ium chloride, the main research area is chlorhexidine mouthwash human osteoblast cytotoxicity apoptosis; antiseptic; bone; cetylpyridinium chloride; chlorhexidine; mouthrinse; peri-implantitis; periodontitis.

Several decontamination methods for removing biofilm from implant surfaces during surgical peri-implantitis treatment have been reported, including the intraoperative usage of chlorhexidine (CHX)-based antiseptics. There is a lack of information on possible adverse effects on bone healing. The study aimed to examine the impact of three CHX-based mouthwashes on osteoblast-like cells (SaOS-2) in vitro. Cells were cultured for three days in 96-well binding plates. Each well was randomly treated for either 30, 60 or 120 s with 0.05% CHX combined with 0.05% cetylpyridinium chloride (CPC), 0.1% CHX, 0.2% CHX or sterile saline (NaCl) as control. Cell viability, cytotoxicity and apoptosis were assessed at day 0, 3 and 6. Cell viability resulted in being higher in the control group at all time points. At day 0, the CHX 0.2 group showed significantly higher cytotoxicity values compared to CHX 0.1 (30 s), CHX + CPC (30 s, 60 s and 120 s) and control (60 s and 120 s), while no significant differences were identified between CHX + CPC and both CHX 0.1 and NaCl groups. All test mouthwashes were found to induce apoptosis to a lower extent compared to control. Results indicate that 0.2% CHX presented the highest cytotoxic effect. Therefore, its intraoperative use should be carefully considered.

International Journal of Molecular Sciences published new progress about Antibacterial agents. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Name: 1-Hexadecylpyridin-1-ium chloride.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem