Category: Triazoles

Computed Properties of C10H7F2N3O. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Spray-dried voriconazole-cyclodextrin complexes: Solubility, dissolution rate and chemical stability. Author is Miletic, Tijana; Kyriakos, Kachrimanis; Graovac, Adrijana; Ibric, Svetlana.

The present work investigates the effect of complexation with hydroxypropyl-beta-cyclodextrin (HPBCD) and 2-O-methyl-beta-cyclodextrin (2-O-MBCD), on voriconazole solubility, dissolution rate and chem. stability. Drug-cyclodextrin complexes were prepared as aqueous solutions, which were spray-dried, and their properties were compared to wet ground samples and phys. mixtures DSC anal. revealed absence of crystalline voriconazole from spray-dried complexes. FTIR spectroscopy indicated changes in the H-bonding network of the hydroxyl groups of cyclodextrin following drug inclusion. Dissolution rate of voriconazole was significantly higher from spray-dried complexes with either cyclodextrin in comparison with free drug, phys. mixtures, or wet ground mixtures However, two degradation impurities were found in aged samples, with slightly higher impurity level with HPBCD. Performed solubility studies suggested that 2-O-MBCD is more efficient solubilizer. Mol. docking simulations showed a difference in the 1:1 binding affinities and sites, with HPBCD surprisingly forming complexes of much lower energy, thus suggesting a multiple rather than a 1:1 complexation.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Non-negative Least Squares Approach to Quantification of 1H Nuclear Magnetic Resonance Spectra of Human Urine》. Authors are Kopriva, Ivica; Jeric, Ivanka; Hadzija, Marijana Popovic; Hadzija, Mirko; Lovrencic, Marijana Vucic.The article about the compound:6-Methylnicotinic acidcas:3222-47-7,SMILESS:O=C(O)C1=CN=C(C)C=C1).Application of 3222-47-7. Through the article, more information about this compound (cas:3222-47-7) is conveyed.

Because of its quant. character and capability for high-throughput screening, 1H NMR (NMR) spectroscopy is used extensively in the profiling of biofluids such as urine and blood plasma. However, the narrow frequency bandwidth of 1H NMR spectroscopy leads to a severe overlap of the spectra of components present in the complex mixtures such as biofluids. Therefore, 1H NMR-based metabolomics anal. is focused on targeted studies related to concentrations of the small number of metabolites. Here, we propose a library-based approach to quantify proportions of overlapping metabolites from 1H NMR mixture spectra. The method boils down to the linear non-neg. least squares (NNLS) problem, whereas proportions of the pure components contained in the library stand for the unknowns. The method is validated on an estimation of the proportions of (i) the 78 pure spectra, presumably related to type 2 diabetes mellitus (T2DM), from their synthetic linear mixture; (ii) metabolites present in 62 1H NMR spectra of urine of subjects with T2DM and 62 1H NMR spectra of urine of control subjects. In both cases, the inhouse library of 210 pure component 1H NMR spectra represented the design matrix in the related NNLS problem. The proposed method pinpoints 63 metabolites that in a statistically significant way discriminate the T2DM group from the control group and 46 metabolites discriminating control from the T2DM group. For several T2DM-discriminative metabolites, we prove their presence by independent anal. determination or by pointing out the corresponding findings in the published literature.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Discovery of quinolone derivatives as antimycobacterial agents, published in 2021, which mentions a compound: 3222-47-7, Name is 6-Methylnicotinic acid, Molecular C7H7NO2, HPLC of Formula: 3222-47-7.

In this report, a compound library was screened and identified compound I with antituberculosis activity and a minimal inhibitory concentration (MIC) against M. tuberculosis of 20μg mL-1. Structure optimization and the structure-activity relationship of 1 as the lead compound enabled the design and synthesis of a series of quinolone derivatives, e.g, II. These compounds were evaluated in vitro for anti-tubercular activity against the M. tuberculosis H37Rv strain. Among them, compounds III [n = 1; R = 3′,5′-dimethoxy-[1,1′-biphenyl], 4-(trifluoromethyl)phenyl, 6-(trifluoromethyl)pyridin-3-yl (IV)] exhibited MIC values in the range of 1.2-3μg mL-1 and showed excellent activity against the tested MDR-TB strain (MIC: 3, 2.9 and 0.9μg mL-1, resp.). All three compounds III were non-toxic toward A549 and Vero cells (>100 and >50μg mL-1, resp.). In addition, an antibacterial spectrum test carried out using compound (IV) showed that this compound specifically inhibits M. tuberculosis. These can serve as a new starting point for the development of anti-TB agents with therapeutic potential.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Recommanded Product: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Design, synthesis, and biological evaluation of novel triazole derivatives as inhibitors of cytochrome P450 14α-demethylase. Author is Chai, Xiaoyun; Zhang, Jun; Hu, Honggang; Yu, Shichong; Sun, Qingyan; Dan, Zhigang; Jiang, Yuanying; Wu, Qiuye.

Based on the results of computational docking to the active site of the cytochrome P 450 14α-demethylase (CYP51), a series of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols I (R = H, 2-F, 2,4-Cl2, 4-MeO2C, PhO2C, etc.) as analogs of fluconazole were designed, synthesized, and evaluated as antifungal agents. The MIC80 values indicate that compounds I (R = H, 2-F, 4-Me, etc.) exhibited higher activity against nearly all fungi tested except Aspergillus fumigatus than fluconazole, while I (R = COOR1, R1 = Me, Et, iso-Pr, COOAr, etc.; Ar = Ph, 3-O2NC6H4, 4-ClC6H4, 2-MeO2CC6H4, etc.) showed no activity or only moderate activity against all fungi tested. Noticeably, the MIC value of I (R = H, 2-F, 4-Cl) is 64 times lower than that of fluconazole against Microsporum gypseum in vitro. And I (R = H, 2-F, CO2Et) showed 128 times higher activity (with the MIC80 value of 0.0039 μg/mL) than that of fluconazole against Candida albicans and also showed higher activity than that of the other pos. controls. Computational docking experiments indicated that the inhibition of CYP51 involves a coordination bond with iron of the heme group, the hydrophilic H-bonding region, the hydrophobic region, and the narrow hydrophobic cleft. In addition, the activity of the compounds would be enhanced when the side chains were shorter.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Solvent-Dependent Chemoselective and Stereoselective Approach to Synthesis of Spiro-γ-Lactams with Potent Anticancer Activity, the main research direction is spiro dihydropyrrole chromenopyrrole dione preparation antitumor.Reference of 6-Methylnicotinic acid.

Chemoselective approaches were developed for derivatizing diastereoselective chromanone spiro-γ-lactams through the Michael-type addition by using amide as a weak nucleophile to construct the spiro-carbon center under basic conditions. To expand the scope of this post-Ugi cascade reaction, a new series of oxidized chromone derivatives Iand II [R1 = H, Me, Cl, etc.; R2 = Ph, 2-thienyl, 1,3-benzodioxol-5-yl, etc.; R3 = 2,6-dimethylphenyl, 4-methoxyphenyl, 1-naphthyl, etc.] was synthesized by altering solvent from EtOH to DMF. Compounds II [R1 = H; R2 = 1,3-benzodioxol-5-yl, 4-nitrophenyl; R3 = 2,6-dimethylphenyl] which could be synthesized in one day, demonstrated comparable anticancer activities with legendary anticancer drug paclitaxel in the PANC and U87 cell lines. This methodol. offers a new approach to construct spiro-carbon centers with functionalized chromanones or chromones under mild reaction conditions.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Quality Control of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol. Author is Kesternich, Victor; Nelson-Gonzalez, Ronald; Perez-Fehrmann, Marcia; Cardenas, Alejandro; Brito, Ivan.

In the title compound, C10H9F2N3O, the dihedral angle between the mean planes of the triazole and benzene rings is 20.6 (2)°. In the crystal, mols. are linked by strong O-H··· N hydrogen bonds into chains with graph-set notation C(9) along [100]. Weak C-H···N and C-H···F interactions are also observed Crystallog. data are given.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Hanke, Thomas; Dehm, Friederike; Liening, Stefanie; Popella, Sven-Desiderius; Maczewsky, Jonas; Pillong, Max; Kunze, Jens; Weinigel, Christina; Barz, Dagmar; Kaiser, Astrid; Wurglics, Mario; Laemmerhofer, Michael; Schneider, Gisbert; Sautebin, Lidia; Schubert-Zsilavecz, Manfred; Werz, Oliver published an article about the compound: 4-(4-Bromophenyl)-5-methylthiazol-2-amine( cas:65705-44-4,SMILESS:NC1=NC(C2=CC=C(Br)C=C2)=C(C)S1 ).SDS of cas: 65705-44-4. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:65705-44-4) through the article.

Dual inhibition of microsomal prostaglandin E2 synthase-1 (mPGES-1) and 5-lipoxygenase (5-LO) is currently pursued as potential pharmacol. strategy for treatment of inflammation and cancer. Here we present a series of 26 novel 2-aminothiazole-featured pirinixic acid derivatives as dual 5-LO/mPGES-1 inhibitors with improved potency (exemplified by compound 2-[(4-chloro-6-{[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]-amino}-pyrimidin-2-yl)-sulfanyl]-octanoic acid (I) with IC50 = 0.3 and 0.4 μM, resp.) and bioactivity in vivo. Computational anal. presumes binding sites of I at the tip of the 5-LO catalytic domain and within a subpocket of the mPGES-1 active site. Compound I (10 μM) hardly suppressed cyclooxygenase (COX)-1/2 activities, failed to inhibit 12/15-LOs, and is devoid of radical scavenger properties. Finally, compound I reduced vascular permeability and inflammatory cell infiltration in a zymosan-induced mouse peritonitis model accompanied by impaired levels of cysteinyl-leukotrienes and prostaglandin E2. Together, 2-aminothiazole-featured pirinixic acids represent potent dual 5-LO/mPGES-1 inhibitors with an attractive pharmacol. profile as anti-inflammatory drugs.

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Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Let’s face it, organic chemistry can seem difficult to learn. Especially from a beginner’s point of view. Like 288-88-0, Name is 1H-1,2,4-Triazole. In a document, author is Dionizio, Thais Petizero, introducing its new discovery. Quality Control of 1H-1,2,4-Triazole.

The fuel cell is a continuously operating, low environmental impact, highly energy-efficient electrochemical device that has been cited as a clean energy source to replace fossil fuels. However, noble metals, such as platinum, are used as electrocatalysts to improve reaction kinetics, which raises the cost of this renewable energy source. This work aimed to evaluate a graphite paste electrode, modified with a copper(II) coordination compound containing N,O-donor groups, as an electrocatalyst in oxygen reduction reactions (ORR) and its catalase-like activity. Through electrochemical analyses, such as cyclic voltammetry and chronoamperometry, the modified electrode activity was investigated at different pH values and scan rates. Catalase activity was also investigated at different pH values in order to establish which would be the most active. The modified electrode proved to be a promising electrocatalyst in ORR in alkaline medium, and the copper(II) complex actively degraded hydrogen peroxide under alkaline conditions, which can help to increase the lifetime of the fuel cell device.

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Reference:
1,2,3-Triazole – Wikipedia,
,Triazoles – an overview | ScienceDirect Topics

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. Recommanded Product: 381-98-6, 381-98-6, Name is 2-(Trifluoromethyl)propenoic acid, SMILES is OC(=O)C(=C)C(F)(F)F, in an article , author is Ali, Imdad, once mentioned of 381-98-6.

This study involves synthesis and physicochemical evaluation of triazole conjugated silver nanoparticles (TBS-AgNPs). The triazole derivative (TBS) was synthesized via click reaction followed by its conjugation with silver nanoparticles through the chemical reduction method. The TBS-AgNPs were characterized by various spectroscopic techniques, for instance, UV-Visible, atomic force microscopy (AFM), Fourier transform infrared (FTIR),and dynamic light scattering (DLS). TBS-AgNPs showed maximum absorption at 400 nm with an average particle size of 60-80 nm. Sensitivity and selectivity of TBS-AgNPs towards metal ions were evaluated using UV-Visible spectroscopy and the addition of Pd2+ produced a significant decrease in absorption intensity of TBS-AgNPs. Whereas, all other tested metal ions such as Sn2+, Ni2+, Ca2+, Bi3+, NH4+, K+, Mg2+, Na+, Co2+, Mn2+, and Ba2+ did not alter the optical properties of TBS-AgNPs for Pd2+. TBS-AgNPs nanoparticles are highly selective for Pd2+ as no interference was observed in competitive experiments. Job’s plot indicated a 1:1 binding ratio between Pd2+ and TBS-AgNPs. Furthermore, TBS-AgNPs were effectively used for the detection of Pd2+ ion in laboratory tap water. (C) 2020 Elsevier B.V. All rights reserved.

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Reference:
1,2,3-Triazole – Wikipedia,
,Triazoles – an overview | ScienceDirect Topics

Application of 5445-51-2, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 5445-51-2, Name is Cyclobutane-1,1-dicarboxylic acid, SMILES is OC(=O)C1(CCC1)C(O)=O, belongs to triazoles compound. In a article, author is Hebenbrock, Marian, introduce new discover of the category.

The effect of different ancillary ligands and counterions in platinum(II) complexes has been investigated. Based on the previously reported tridentate C<^>N<^>N ligand precursor 2-(1-benzyl-1H-1,2,3-triazol-4-yl)-6-phenylpyridine (HL), the photophysical properties of complexes of the type [Pt(L)(X)](n+) have been varied by changing the fourth (monodentate) ligand (X) of the square-planar platinum(II) complexes. Different lifetimes and quantum yields were observed, depending on the identity of this ancillary ligand. The most favorable photophysical properties within this series of complexes were obtained for neutral complexes with the phenylacetylido ligand with a quantum yield of 35% and a lifetime of 2.22 mu s, while for cationic complexes bearing nitrile, isonitrile and triphenylphosphane units gave comparable results with quantum yields ranging from 11% to 16% and lifetimes from 3.59 mu s to 4.93 mu s. Introducing a ferrocene moiety attached to an acetylido ligand, the complex became hardly emissive. The investigated counterions perchlorate, tetrafluoroborate and hexafluorophosphate of positively charged complexes regarding their photophysical properties were found to affect the non-radiative decay rates. To understand the minor effect observed for the emission maxima of the complexes, density functional theory (DFT) was applied. The experimental emission spectra of the complexes were reproduced by using simplified model systems. The distribution of the frontier orbitals used for the description of the emissive T-1 state in its optimized geometry mainly involves the tridentate luminophore rather than the ancillary ligand. This explains why the emission is dominated by the pincer unit with perturbative participation of the metal center while excluding significant influence of the ancillary ligand.

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Reference:
1,2,3-Triazole – Wikipedia,
,Triazoles – an overview | ScienceDirect Topics