Month: October 2022

Sharma, Pranay; Gogoi, Anshuman; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K. published the artcile< Charge-assisted hydrogen bond and nitrile···nitrile interaction directed supramolecular associations in Cu(II) and Mn(II) coordination complexes: anticancer, hematotoxicity and theoretical studies>, COA of Formula: C10H8N2, the main research area is crystal structure copper bipyridine manganese cyanopyridine aqua compound; copper bipyridine manganese cyanopyridine preparation anticancer hematotoxicity activity.

Two new coordination complexes of Cu(II) and Mn(II), viz., [Cu(bpy)(H2O)4]SO4·2H2O (1) and [Mn(4-CNpy)2(H2O)3SO4]·H2O (2) (bpy = 2,2′-bipyridine, 4-CNpy = 4-cyanopyridine), were synthesized and characterized by using single crystal x-ray diffraction, elemental anal., FTIR spectroscopy, electronic spectroscopic techniques and TGA. The crystal structure of 1 uncovers the formation of sulfate-H2O assemblies involving lattice and coordinated H2O mols., while 2 reveals unconventional weak T-shaped CN···CN contacts in the layered architecture. The authors analyzed the unconventional interesting interactions using DFT calculations, mol. electrostatic potential (MEP), the NCI plot and QTAIM computational tools. The interaction energies of the two H-bonded dimers in 1 are very large because of the coulombic attraction between the dicationic H-bonded donor and the dianionic acceptor. It is interesting to observe that despite the energy of the H-bonds being very small compared to the total dimerization energy, the final geometry of the assembly in 1 is due to the charge assisted directional H-bonds instead of the nondirectional ion-pair interactions. The DFT study reveals that the T-shaped CN···CN interaction in 2 is very weak, in good agreement with the small MEP energy at the nitrile C atom. Anticancer studies of the compounds were carried out using Dalton’s lymphoma cell line using MTT and apoptosis assay. The results of compound 1 and 2 mediated cell cytotoxicity on the DL cancer cell line showed a significant concentration-dependent reduction in cell viability, while negligible cytotoxicity was observed in normal (PBMC) cells. The docking simulation results also confirm the interaction of the complexes with the active sites of amino acids of the target proteins. Also, pharmacophore models (2-dimensional and 3-D) for the compounds were mapped to the H-bond donor, pos. ionizable area and hydrophobic features that are important for establishing biol. activities. No hematotoxicity was recorded for the compounds after treatment in normal mice.

New Journal of Chemistry published new progress about Antitumor agents. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, COA of Formula: C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhou, Sen; Sun, Ze-Ying; Zhu, Kongying; Zhao, Wentao; Tang, Xiangyang; Guo, Minjie; Wang, Guangwei published the artcile< Metal-Free Difunctionalization of Pyridines: Selective Construction of N-CF2H and N-CHO Dihydropyridines>, COA of Formula: C7H7NO2, the main research area is pyridine nitroalkane bromodifluoroacetate regioselective nucleophilic addition; nitroalkyl difluoromethyl dihydropyridine preparation; nitromethylene difluoromethyl dihydropyridine preparation; formyl difluoromethyl dihydropyridine preparation.

A novel nucleophilic addition of N-difluoromethylpyridinium salts with nitroalkanes to synthesize N-CF2H-dihydropyridines and N-CHO-dihydropyridines in a highly efficient and regioselective pathway was reported. This protocol exhibited good functional group tolerance and good to excellent yields.

Organic Letters published new progress about Alkanes, nitro Role: RCT (Reactant), RACT (Reactant or Reagent). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, COA of Formula: C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Puszko, Aniela published the artcile< Synthesis of 2-halo(chloro,bromo)-4-nitropicoline>, HPLC of Formula: 79055-59-7, the main research area is persulfuric acid oxidation pyridinamine; pyridine halo nitro methyl; bromopyridine nitro methyl; chloropyridine nitro methyl.

Oxidation of the corresponding amines gave the six title isomers I , II and III (X = Cl, Br).

Prace Naukowe Akademii Ekonomicznej imienia Oskara Langego we Wroclawiu published new progress about Oxidation. 79055-59-7 belongs to class pyridine-derivatives, and the molecular formula is C6H7BrN2, HPLC of Formula: 79055-59-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Cui, Yahan; Deng, Rong; Li, Xiangshuai; Wang, Xinghuo; Jia, Qiong; Bertrand, Emilie; Meguellati, Kamel; Yang, Ying-Wei published the artcile< Temperature-sensitive polypeptide brushes-coated mesoporous silica nanoparticles for dual-responsive drug release>, Application of C10H8N2S2, the main research area is temperature polypeptide mesoporous silica nanoparticle.

A biopolymer-inorganic hybrid system (MSN@PBLGF) is designed and fabricated from mesoporous silica nanoparticles (MSNs) and folic acid (FA)-terminated temperature-sensitive synthetic polypeptide, i.e., poly(γ-benzyl-L-glutamate) (PBLG) derivative, through a thiol-disulfide exchange reaction, where MSNs with high drug loading capacity serve as drug nanocarriers and the biocompatible PBLG biopolymer brushes installed on MSN surface through disulfide bonds endow the system with tumor-specific recognition ability and GSH/temperature dual-stimuli responsiveness. Controlled drug release experiments indicate that DOX can be tightly hosted in the system with limited premature release, but efficiently released in response to an increased concentration of GSH and/or an elevated temperature Intracellular experiments demonstrate that the DOX-loaded MSN@PBLGF nanohybrid shows outstanding cellular uptake and cell-growth inhibition effects on human lung cancer cell line A549 in comparison with healthy human cells such as hepatocyte cells LO2.

Chinese Chemical Letters published new progress about Antitumor agents. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Application of C10H8N2S2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Miranda, Margarida S.; Matos, Maria Agostinha R.; Morais, Victor M. F. published the artcile< Structure and energetics correlations in some chlorohydroxypyridines>, COA of Formula: C5H4ClNO, the main research area is chlorohydroxypyridine structure energetics correlation.

We have performed a study of the structure and energetics of some chlorohydroxypyridines based on exptl. calorimetry techniques and high level ab initio computational calculations The standard (p° = 0.1 MPa) molar enthalpies of formation of 2-chloro-3-hydroxypyridine (2-Cl-3-OHPy), 2-chloro-6-hydroxypyridine (2-Cl-6-OHPy) and 3-chloro-5-hydroxypyridine (3-Cl-5-OHPy) in the crystalline phase, at T = 298.15 K, were derived from the resp. standard massic energies of combustion measured by rotating-bomb combustion calorimetry, in oxygen, at T = 298.15 K. The standard molar enthalpies of sublimation, at T = 298.15 K, were measured by Calvet microcalorimetry. From these exptl. determined enthalpic parameters we have derived the standard molar enthalpies of formation of the three compounds in the gaseous phase, at T = 298.15 K: 2-Cl-3-OHPy, -(76.8 ± 2.0) kJ · mol-1; 2-Cl-6-OHPy, -(105.0 ± 1.7) kJ · mol-1, 3-Cl-5-OHPy -(61.2 ± 2.4) kJ · mol-1. These values were compared with estimates obtained from very accurate computational calculations using the G3(MP2)//B3LYP composite method and appropriately chosen reactions. These calculations have also been extended to the remaining chlorohydroxypyridine isomers that were not studied exptl. Based on B3LYP/6-31G* optimized geometries and calculated G3(MP2)//B3LYP absolute enthalpies some structure-energy correlations were discussed.

Journal of Chemical Thermodynamics published new progress about Formation enthalpy (molar). 96630-88-5 belongs to class pyridine-derivatives, and the molecular formula is C5H4ClNO, COA of Formula: C5H4ClNO.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ali, Hazim M. published the artcile< Simultaneous Determination of Methyl Nicotinate and Three Salicylic Acid Derivatives in Pain Relief Spray Using HPLC-DAD>, COA of Formula: C7H7NO2, the main research area is methyl nicotinate salicylic acid derivative pain relief spray HPLCDAD.

For the first time, the high-performance liquid chromatog.-diode array detector (HPLC-DAD) approach was operated for the simultaneous assessment of Me nicotinate (MN), Me salicylate (MS), Et salicylate (ES) and 2-hydroxyethyl salicylate (HES) in one pharmaceutical formulation. The limits of detection of MN, HES, MS and ES were found to be 0.0144, 0.0455, 0.0087 and 0.0061μg/mL. The recovery percentages and relative standard deviations ranged from 93.48 to 102.12% and 0.301 to 6.341% for all active ingredients. Accordingly, the previously described data demonstrate the sensitivity, accuracy and precision of the developed method. Therefore, the investigated approach was effectively applied for the simultaneous assessment of MN, HES, MS and ES in DEEP HEAT Spray.

Separations published new progress about Analgesics. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, COA of Formula: C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Elawa, Sherif; Mirdell, Robin; Farnebo, Simon; Tesselaar, Erik published the artcile< Skin blood flow response to topically applied methyl nicotinate: Possible mechanisms.>, Synthetic Route of 93-60-7, the main research area is capillary capacity; laser speckle contrast imaging; methyl nicotinate; microcirculation; tissue viability.

BACKGROUND: Methyl nicotinate (MN) induces a local cutaneous erythema in the skin and may be valuable as a local provocation in the assessment of microcirculation and skin viability. The mechanisms through which MN mediates its vascular effect are not fully known. The aim of this study was to characterize the vasodilatory effects of topically applied MN and to study the involvement of nitric oxide (NO), local sensory nerves, and prostaglandin-mediated pathways. METHODS: MN was applied on the skin of healthy subjects in which NO-mediated (L-NMMA), nerve-mediated (lidocaine/prilocaine), and cyclooxygenase-mediated (NSAID) pathways were selectively inhibited. Microvascular responses in the skin were measured using laser speckle contrast imaging (LSCI). RESULTS: NSAID reduced the MN-induced perfusion increase with 82% (P < .01), whereas lidocaine/prilocaine reduced it with 32% (P < .01). L-NMMA did not affect the microvascular response to MN. CONCLUSION: The prostaglandin pathway and local sensory nerves are involved in the vasodilatory actions of MN in the skin. Skin research and technology : International Society for Skin Imaging (ISSI) published new progress about 93-60-7. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Synthetic Route of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wu, Gaorong; Fu, Xiaopan; Wang, Yangyang; Deng, Kezuan; Zhang, Lili; Ma, Tao; Ji, Yafei published the artcile< C-H Borylation of Diphenylamines through Adamantane-1-carbonyl Auxiliary by BBr3>, Category: pyridine-derivatives, the main research area is ortho carbon hydrogen bond borylation phenylamine adamantanecarbonyl directed; isotope effect borylation kinetics phenylamine adamantanecarbonyl directed; boronate ester phenylamine derivative preparation reactivity; crystal structure chlorophenyl dioxaborolanylphenyl adamantanecarboxamide; mol structure chlorophenyl dioxaborolanylphenyl adamantanecarboxamide.

A method for ortho-C-H borylation of diphenylamines using BBr3 as the B source is reported. The noncatalytic adamantane-1-carbonyl directed reaction exhibited site exclusivity and good functional group tolerance. Generally, the borylation occurred at the more electron-rich aromatic ring and the borylated products could be converted to various useful intermediates. Besides, the derived arylation and removal of auxiliary of the product could be achieved in a 1-pot fashion.

Organic Letters published new progress about Addition reaction kinetics (borylation). 22961-45-1 belongs to class pyridine-derivatives, and the molecular formula is C11H10N2, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

An, Ju Hyeon; Kim, Kyu Dong; Lee, Jun Hee published the artcile< Highly Chemoselective Deoxygenation Of N-Heterocyclic N-Oxides Using Hantzsch Esters As Mild Reducing Agents>, Computed Properties of 93-60-7, the main research area is deoxygenated nitrogen heterocycle green preparation chemoselective; heterocycle nitrogen oxide deoxygenation Hantzsch ester metallaphotocatalyst.

A highly chemoselective room-temperature deoxygenation method applicable to various functionalized N-heterocyclic N-oxides via visible light-mediated metallaphotoredox catalysis using Hantzsch esters as the sole stoichiometric reductant to afford deoxygenated N-heterocycles I [R = 6-OMe, 6-Cl, 2-Ph, etc.], II [R1 = H, 5-Br; X = CH, N] and III [R2 = 3-Ph, 2,6-Cl2, pyridin-2-yl, etc.] were reported. Despite the feasibility of catalyst-free conditions, most of these deoxygenations could be completed within a few minutes using only a tiny amount of a catalyst. This technol. also allowed for multigram-scale reactions even with an extremely low catalyst loading of 0.01 mol %. The scope of this scalable and operationally convenient protocol encompassed a wide range of functional groups, such as amides, carbamates, esters, ketones, nitrile groups, nitro groups and halogens, which provided access to the corresponding compounds I, II and III in good to excellent yields (an average of an 86.8% yield for a total of 45 examples).

Journal of Organic Chemistry published new progress about Amine oxides Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (heteroarene). 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

Carnizello, Andrea P.; Alves, Jacqueline M.; Pereira, Daiane E.; Campos, Jacqueline C. L.; Barbosa, Marilia I. F.; Batista, Alzir A.; Tavares, Denise C. published the artcile< Study of the cytotoxic and genotoxic potential of the carbonyl ruthenium(II) compound, ct-[RuCl(CO)(dppb)(bipy)]PF6 [dppb = 1,4-bis(diphenylphosphino)butane and bipy = 2,2′-bipyridine], by in vitro and in vivo assays>, SDS of cas: 366-18-7, the main research area is cytotoxicity genotoxicity carbonyl ruthenium assay; carbonyl ruthenium complexes; comet assay; genotoxic potential; micronucleus test.

Considering the promising previous results of ct-[RuCl(CO)(dppb)(bipy)]PF6 (where dppb = 1,4-bis(diphenylphosphino)butane and bipy = 2,2′-bipyridine) as an antitumor agent, novel biol. assays evaluating its toxicogenic potential were performed. The genotoxicity of the compound was evaluated by the in vitro micronucleus test (V79, Chinese hamster lung fibroblasts; HepG2, hepatocellular carcinoma cells), in vivo bone marrow micronucleus test and comet assay in hepatocytes (Swiss mice). The animals were treated with 0.63, 1.25, 2.5 and 5.0 mg/kg body weight (bw) of the compound Neg. (water) and pos. (cisplatin, 1.5 mg/kg bw; Me methanesulfonate, 40 mg/kg bw) controls were included. The parameters considered in the comet assay were the percentage of tail DNA, tail moment and tail length. The results of the in vitro micronucleus tests showed the absence of genotoxicity in V79 cells, while the compound was genotoxic in HepG2 cells at a concentration of 1.25 microM. In the in vivo micronucleus test, the compound was not genotoxic at the different doses evaluated. In the comet assay, only the dose of 5.0 mg/kg bw resulted in a significant increase in the frequency of DNA damage in hepatocytes when compared to the neg. control. The genotoxic effect observed in HepG2 cells and in the liver comet assay indicates that the compound was metabolized by hepatic cells.

Journal of Applied Toxicology published new progress about Analysis. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, SDS of cas: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem