Month: October 2022

Li, Ying; Du, Na; Song, Shue; Hou, Wanguo published the artcile< Adsorption of Cetylpyridinium Chloride at Silica Nanoparticle/Water Interfaces (II): Dependence of Surface Aggregation on Particle Size>, Quality Control of 123-03-5, the main research area is cetylpyridinium chloride silica nanoparticle adsorption water aggregation.

Herein, we report a thermodn. model that relates adsorption (aggregation) parameters of surfactants at solid/liquid interfaces with particle radius (r). The adsorption (aggregation) parameters include adsorption amounts, equilibrium constants (or the standard Gibbs free energy changes), the critical surface micelle concentration (csmc), and the average aggregation number of surface micelles (n). The model predicts the size-dependence of surface aggregation of surfactants, which is determined by the changes in the interfacial tension and the molar volume of surface components caused by adsorption. In addition, the adsorption of cetylpyridinium chloride (CPyCl), a cationic surfactant, on silica nanoparticles with different r (ca. 6-61 nm) was determined at 298 K and pH 4, showing an obvious size-dependence, consistent with the prediction of the model. With an increase in r, the adsorption isotherm changes from the double-plateau type to the Langmuir type, accompanied by the obvious changes of the adsorption parameters. The size-dependent adsorption data can be well described using the model equations, indicating that the model presented here is acceptable. In addition, the model can extract information on the interfacial tensions from adsorption data. We think that the model deepens the understanding of the aggregation phenomena of surfactants at solid/liquid interfaces.

Langmuir published new progress about Adsorption. 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

Grivas, Spiros; Ronne, Erik published the artcile< Synthesis of four isomeric imidazonaphthyridines; three novel ring systems>, HPLC of Formula: 55279-29-3, the main research area is imidazonaphthyridine; Friedlaender reaction creatinine aminopyridinecarbaldehyde.

The novel 2-amino-1-Me derivatives of imidazo[4,5-b][1,x]naphthyridine, for example, I and II, were prepared via the Friedlaender reaction from the corresponding aminopyridinecarbaldehydes and creatinine in 65-85% yields. The ring systems I, II and their isomers were not reported previously.

Journal of Chemical Research, Synopses published new progress about Friedlander synthesis. 55279-29-3 belongs to class pyridine-derivatives, and the molecular formula is C6H6N2O, HPLC of Formula: 55279-29-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chen, Dandan; Zhao, Qunfei; Liu, Wen published the artcile< Discovery of caerulomycin/collismycin-type 2,2'-bipyridine natural products in the genomic era>, Reference of 366-18-7, the main research area is review caerulomycin collismycin bipyridine bioactive natural product genomic era; 2,2′-Bipyridine; Caerulomycin; Collismycin; Natural product discovery; Natural products.

A review. 2,2′-Bipyridine (2,2′-BP) is the unique mol. scaffold of the bioactive natural products represented by caerulomycins (CAEs) and collismycins (COLs). CAEs and COLs are highly similar in the chem. structures in which their 2,2′-BP cores typically contain a di- or tri-substituted ring A and an unmodified ring B. Here, we summarize the CAE and COL-type 2,2′-BP natural products known or hypothesized to date: (1) isolated using methods traditional for natural product characterization, (2) created by engineering the biosynthetic pathways of CAEs or COLs, and (3) predicted upon bioinformatics-guided genome mining. The identification of these CAE and COL-type 2,2′-BP natural products not only demonstrates the development of research techniques and methods in the field of natural product chem. but also reflects the general interest in the discovery of CAE and COL-type 2,2′-BP natural products.

Journal of Industrial Microbiology & Biotechnology published new progress about Bioinformatics. 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

Dunn, A. D. published the artcile< The addition of hydroxylamine to derivatives of halopyridine carboxylic acids>, Recommanded Product: Methyl 3-bromo-2-pyridinecarboxylate, the main research area is halopyridinecarboxylate hydroxylamine addition; pyridinecarboxylate halo hydroxylamine addition; halopyridinenitrile hydroxylamine cyclization; isoxazolopyridine.

Cyanopyridines I (R = Cl, R1 = cyano, R2 = H; R = cyano, R1 = Cl, R2 = H; R = H, R1 = cyano, R2 = Cl) reacted with a MeOH solution of NH2OH and MeONa to give isoxazolopyridines. Thus, I (R = Cl, R1 = cyano, R2 = H) gave isoxazolopyridine II. However, I (R = H, R1 = Cl, R2 = cyano) reacted with the same reagent to give I (R, R1, same, R2 = CONH2), and I (R = H, R1 = Br, R2 = cyano) gave I [R, R1, same, R2 = C(:NOH)NH2]. No bicyclic products were formed . Esters I (R = Cl, R1 = CO2Me, R2 = H) reacted with the same reagent to give the hydroxamic acids I (R, R2, same, R1 = CONHOH). Similarly esters I (R = CO2Me, R1 = Br, R2 = H; R= H, R1 = Br, R2 = CO2Me) also gave the corresponding hydroxamic acids.

Zeitschrift fuer Chemie published new progress about Cyclocondensation reaction. 53636-56-9 belongs to class pyridine-derivatives, and the molecular formula is C7H6BrNO2, Recommanded Product: Methyl 3-bromo-2-pyridinecarboxylate.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

de Miranda, Thiago M.; de Oliveira, Alan R.; Pereira, Juliano R.; da Silva, Jeferson G.; Lula, Ivana S.; Nascimento, Clebio S. Jr.; Denadai, Angelo M. L. published the artcile< Inclusion vs. micellization in the cethylpyridine chloride / β-cyclodextrin system: A structural and thermodynamic approach>, Synthetic Route of 123-03-5, the main research area is complexation micellization cethylpyridine chloride cyclodextrin structure thermodn.

In the present work we have performed a structural and thermodn. characterization of supramol. structures formed by interaction between cetylpyridinium chloride (CPC) surfactant and β-cyclodextrin (βCD), using several phys.-chem. methods. Initially, qual. CPC/βCD interactions in solid state were confirmed by FTIR and TGA/DTA. 2D NMR ROESY experiment showed strong correlations between hydrogens of βCD cavity with aromatic and aliphatic hydrogens of CPC, suggesting the existence of different complexes in solution This information was corroborated by structures assessed by computational approach and stoichiometric coefficient obtained by ITC (N = 1.45). ITC experiments (at constant concentration of CPC) also showed that host-guest complexation occur with very high binding constant (Kb = 38,300.0), and driven by enthalpy and entropy. However, as CPC is an amphiphilic mol., it is able to form micelles at critical micellar concentration close to 1 mM. In presence of βCD, it was observed that micellization was delayed, so that the cmc values increased according to the empiric equation: cmc = 1.02 + 0.5[βCD]. Moreover, thermodn. data obtained by combination of conductometric and isothermal calorimetry titrations showed that the presence of increasing concentrations of βCD causes an increase of free energy of micellization, specially by gradual reduction of entropy of micellization, due to the difficult of micelles encapsulate the inclusion compounds The overall study was rationalized in terms of competition between micellization vs. host-guest complexation.

Journal of Molecular Structure published new progress about Complexation enthalpy. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Synthetic Route of 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Jeon, Jinwon; He, Yu-Tao; Shin, Sanghoon; Hong, Sungwoo published the artcile< Visible-Light-Induced ortho-Selective Migration on Pyridyl Ring: Trifluoromethylative Pyridylation of Unactivated Alkenes>, COA of Formula: C7H7NO2, the main research area is phosphine oxide pyridinyl preparation; pyridinium alkenyloxy alkenylamino preparation trifluoromethylation phosphinylation regioselective migration; fluoroalkyl functionalized pyridine preparation; alkenes; heterocycles; photochemistry; radicals; reaction mechanisms.

The photocatalyzed ortho-selective migration on a pyridyl ring has been achieved for the site-selective trifluoromethylative pyridylation of unactivated alkenes. The overall process was initiated by the selective addition of a CF3 radical to the alkene moiety of N-(alkenyloxy)pyridinium salts I [X = O, Z = (CH2)3, R1 = H, 2-Me, 3-MeO2C, 4-Ph, etc., R2 = H, Me; X = O, Z = CH2, CH2CH2, (CH2)4, R1 = 4-MeO2C, R2 = H; X = NTs, Z = CH2, CH2CH2, R1 = H, 4-MeO2C, R2 = H; etc.] to provide a nucleophilic alkyl radical intermediate, which enabled an intramol. endo addition exclusively to the ortho-position of the pyridinium salt to afford the corresponding functionalized pyridines II. Both secondary and tertiary alkyl radicals were well-suited for addition to the C2-position of pyridinium salts to ultimately provide synthetically valuable C2-fluoroalkyl functionalized pyridines. Moreover, the method was successfully applied to the reaction with P-centered radicals. The utility of this transformation was further demonstrated by the late-stage functionalization of complex bioactive mols.

Angewandte Chemie, International Edition published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, COA of Formula: C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hawash, Mohammed; Kahraman, Deniz Cansen; Ergun, Sezen Guntekin; Cetin-Atalay, Rengul; Baytas, Sultan Nacak published the artcile< Synthesis of novel indole-isoxazole hybrids and evaluation of their cytotoxic activities on hepatocellular carcinoma cell lines>, Quality Control of 3731-53-1, the main research area is indole isoxazole carboxamide preparation antitumor activity physicochem property; Apoptosis; CDK4; Cell cycle arrest; Hepatocellular carcinoma; Indole; Isoxazole.

In this study, a series of indole-3-isoxazole-5-carboxamide derivatives I (R = n-butylamine, 3,4,5-(trimethoxyphenyl)aminyl, morpholin-4-yl, etc.) was designed, synthesized, and evaluated for their anticancer activities. The cytotoxic activity was performed against Huh7, MCF7 and HCT116 cancer cell lines using sulforhodamine B assay. Some compounds I showed potent anticancer activities and three of them were chosen for further evaluation on liver cancer cell lines based on SRB assay and real-time cell growth tracking anal. Compounds I were shown to cause arrest in the G0/G1 phase in Huh7 cells and caused a significant decrease in CDK4 levels. A good correlation was obtained between the theor. predictions of bioavailability using Molinspiration calculation, Lipinski’s rule of five, and exptl. verification. These investigations reveal that indole-isoxazole hybrid system have the potential for the development of novel anticancer agents.

BMC Chemistry published new progress about Amides Role: PAC (Pharmacological Activity), PRP (Properties), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Quality Control of 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sun, Bin; Dong, Yue; Lei, Kang; Wang, Jian; Zhao, Liyu; Liu, Min published the artcile< Design, synthesis and biological evaluation of amide-pyridine derivatives as novel dual-target (SE, CYP51) antifungal inhibitors>, COA of Formula: C6H8N2, the main research area is amide pyridine derivative preparation squalene cyclooxygenase CYP51 inhibitor antifungal; 3D QSAR model; Amide-pyridine compounds; Antifungal activity; Dual-target; Molecular docking.

Based on the anal. of the squalene cyclooxygenase (SE) and 14α-demethylase (CYP51) inhibitors pharmacophore feature and the dual-target active sites, a series of compounds with amide-pyridine scaffolds have been designed and synthesized to treat the increasing incidence of drug-resistant fungal infections. In vitro evaluation showed that these compounds have a certain degree of antifungal activity. The most potent compounds 11a, 11b with MIC values in the range of 0.125-2 μg/mL had a broad-spectrum antifungal activity and exhibited excellent inhibitory activity against drug-resistant pathogenic fungi. Preliminary mechanism studies revealed that the compound 11b might play an antifungal role by inhibiting the activity of SE and CYP51. Notably compounds did not show the genotoxicity through plasmid binding assay. Finally, this study of mol. docking, ADME/T prediction and the construction of 3D QSAR model were performed. These results can point out the direction for further optimization of the lead compound

Bioorganic & Medicinal Chemistry published new progress about Drug resistance. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, COA of Formula: C6H8N2.

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>, Category: pyridine-derivatives, 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). 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Garcia-Cuellar, Claudia Maria; Hernandez-Delgadillo, Rene; Solis-Soto, Juan Manuel; Meester, Irene; Sanchez-Perez, Yesennia; Nakagoshi-Cepeda, Sergio Eduardo; Nakagoshi-Cepeda, Maria Argelia Akemi; Chellam, Shankararaman; Cabral-Romero, Claudio published the artcile< Cetylpyridinium chloride inhibits human breast tumor cells growth in a no-selective way>, Synthetic Route of 123-03-5, the main research area is breast tumor cell growth cetylpyridinium chloride anticancer; Antitumor activity; LD50 assay; cetylpyridinium chloride; chemotherapy; human breast cancer; quaternary ammonium salts.

Objective: Analyze the antitumor capacity of cetylpyridinium chloride (CPC) on human breast tumor cells, and the possible action mechanism. Material and methods: The human breast tumor cells MCF-7 and no-tumor breast cells MCF-10A were exposed to CPC under various condition (concentration and duration). Cell viability was measured with MTT assay, the LIVE/DEAD assay, and fluorescence microscopy. Membrane permeability after CPC exposure was evaluated by Calcein AM assay, mitochondrial morphol. with a MitoView staining, and genotoxicity with the comet assay and fluorescence microscopy. Results: CPC was cytotoxic to both MCF-7 and MCF-10A as of a 24-h exposure to 0.1μM. Cytotoxicity was dosedependent and reached 91for MCF-7 and 78for MCF-10A after a 24-h exposure to 100μM CPC, which outperformed the pos. control doxorubicin in effectiveness and selectivity. The LD50 of CPC on was 6μM for MCF-7 and 8μM for MCF-10A, yielding a selectivity index of 1.41. With respect to the action mechanisms, the comet assay did not reveal genome fragmentation. On the other hand, membrane damage was dose-dependent and may also affect mitochondrial morphol. Conclusion: Cetylpyridinium chloride inhibits MCF-7 cell growing in a non-selective way as of 5min of exposure. The action mechanism of CPC on tumor cells involves cell membrane damage without change neither mitochondrial morphol. nor genotoxicity.

Journal of Applied Biomaterials & Functional Materials published new progress about Antitumor agents. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Synthetic Route of 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem