Month: April 2022

Application of 86404-63-9. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Novel alkylated azoles as potent antifungals.

The synthesis of new FLC derivatives I (R = 2,4-Cl2, 2-F, 3-F, 4-F, etc.; n = 0, 1, 2, 3, 4, 5) along with their antifungal activity against a panel of 13 clin. relevant fungal strains was developed. Also, their toxicity against mammalian cells, their hemolytic activity, as well as their mechanism of action were explored. Overall, many of our FLC derivatives I exhibited broad-spectrum antifungal activity and all compounds displayed an MIC value of <0.03 μg/mL against at least one of the fungal strains tested. Also, they were found to be less hemolytic and less cytotoxic to mammalian cells than the FDA approved antifungal agent amphotericin B. The mechanism of action of compounds has been demonstrated as best derivative for the inhibition of the sterol 14α-demethylase enzyme, involved in ergosterol biosynthesis. The article 《Novel alkylated azoles as potent antifungals》 also mentions many details about this compound(86404-63-9)Application of 86404-63-9, you can pay attention to it or contacet with the author([email protected]) to get more information.

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

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Development & validation of stability indicating UPLC method for quantitative estimation of voriconazole and its impurities in drug substance.Formula: C10H7F2N3O.

Simple and sensitive RP-UPLC method for the separation and quantification of voriconazole and its impurities are described. Samples are analyzed by means of reverse phase (RP-UPLC) using an Acquity UPLC BEH Shield RP18 (2.1mm x 100mm, 1.7μ), and the mobile phase consists of two Channels A and B. Channel-A 0.05% TFA in water and Channel-B: 0.05% TFA in methanol. The flow rate is 0.2 mL/min. The column temperature was maintained at 30°C and sample temperature was maintained at ambient and wavelength fixed at 255nm UVdetection. It is found that the method of RP-UPLC with UV-detection system for the anal. of voriconazole impurities are straight forward and applied in qual. and quant. anal. The developed UPLC method was validated with respect to specificity, precision, linearity, ruggedness and robustness. Validation study compared as per ICH guideline.

The article 《Development & validation of stability indicating UPLC method for quantitative estimation of voriconazole and its impurities in drug substance》 also mentions many details about this compound(86404-63-9)Formula: C10H7F2N3O, you can pay attention to it, because details determine success or failure

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

Computed Properties of C10H7F2N3O. 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 Optimization of the synthesis of the key intermediate of fluconazole by the orthogonal experimental design. Author is Sheng, Chunquan; Chen, Yi; Zhang, Wannian; Song, Yunlong; Ji, Haitao; Zhou, Youjun; Zhu, Ju; Lu, Jiaguo.

Optimization of the preparation of 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole methanesulfonate, an intermediate in fluconazole synthesis, by reacting 2′,4′-difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone with trimethylsulfoxonium iodide was carried out using orthogonal exptl. design. The yield reached 62.34%.

The article 《Optimization of the synthesis of the key intermediate of fluconazole by the orthogonal experimental design》 also mentions many details about this compound(86404-63-9)Computed Properties of C10H7F2N3O, you can pay attention to it, because details determine success or failure

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

Quality Control of 4-(4-Bromophenyl)-5-methylthiazol-2-amine. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 4-(4-Bromophenyl)-5-methylthiazol-2-amine, is researched, Molecular C10H9BrN2S, CAS is 65705-44-4, about Synthesis and biological evaluation of novel thiazole- VX-809 hybrid derivatives as F508del correctors by QSAR-based filtering tools. Author is Liessi, Nara; Cichero, Elena; Pesce, Emanuela; Arkel, Maria; Salis, Annalisa; Tomati, Valeria; Paccagnella, Matteo; Damonte, Gianluca; Tasso, Bruno; Galietta, Luis J. V.; Pedemonte, Nicoletta; Fossa, Paola; Millo, Enrico.

The most common CF mutation, F508del, impairs the processing and gating of CFTR protein. This deletion results in the improper folding of the protein and its degradation before it reaches the plasma membrane of epithelial cells. Present correctors, like VX809 only induce a partial rescue of the mutant protein. Our previous studies reported a class of compounds, called aminoarylthiazoles (AATs), featuring an interesting activity as correctors. Some of them show additive effect with VX-809 (I) indicating a different mechanism of action. In an attempt to construct more interesting mols., it was thought to generate chem. hybrid compounds, blending a portion of VX-809 merged to the thiazole scaffold. This approach was guided by the development of QSAR analyses, which were performed based on the F508del correctors so far disclosed in the literature. This strategy was aimed at exploring the key requirements turning in the corrector ability of the collected derivatives and allowed us to derive a predictive model guiding for the synthesis of novel hybrids as promising correctors. The new mols. were tested in functional and biochem. assays on bronchial CFBE41o-cells expressing F508del-CFTR showing a promising corrector activity.

After consulting a lot of data, we found that this compound(65705-44-4)Quality Control of 4-(4-Bromophenyl)-5-methylthiazol-2-amine can be used in many types of reactions. And in most cases, this compound has more advantages.

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

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 6-Methylnicotinic acid( cas:3222-47-7 ) is researched.Application In Synthesis of 6-Methylnicotinic acid.Kopriva, Ivica; Jeric, Ivanka; Hadzija, Marijana Popovic; Hadzija, Mirko; Lovrencic, Marijana Vucic published the article 《Non-negative Least Squares Approach to Quantification of 1H Nuclear Magnetic Resonance Spectra of Human Urine》 about this compound( cas:3222-47-7 ) in Analytical Chemistry (Washington, DC, United States). Keywords: non neg least squares method NMR spectra; urine analysis diabetes type two. Let’s learn more about this compound (cas:3222-47-7).

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.

After consulting a lot of data, we found that this compound(3222-47-7)Application In Synthesis of 6-Methylnicotinic acid can be used in many types of reactions. And in most cases, this compound has more advantages.

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 Development & validation of stability indicating UPLC method for quantitative estimation of voriconazole and its impurities in drug substance, published in 2019, which mentions a compound: 86404-63-9, Name is 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, Molecular C10H7F2N3O, Electric Literature of C10H7F2N3O.

Simple and sensitive RP-UPLC method for the separation and quantification of voriconazole and its impurities are described. Samples are analyzed by means of reverse phase (RP-UPLC) using an Acquity UPLC BEH Shield RP18 (2.1mm x 100mm, 1.7μ), and the mobile phase consists of two Channels A and B. Channel-A 0.05% TFA in water and Channel-B: 0.05% TFA in methanol. The flow rate is 0.2 mL/min. The column temperature was maintained at 30°C and sample temperature was maintained at ambient and wavelength fixed at 255nm UVdetection. It is found that the method of RP-UPLC with UV-detection system for the anal. of voriconazole impurities are straight forward and applied in qual. and quant. anal. The developed UPLC method was validated with respect to specificity, precision, linearity, ruggedness and robustness. Validation study compared as per ICH guideline.

After consulting a lot of data, we found that this compound(86404-63-9)Electric Literature of C10H7F2N3O can be used in many types of reactions. And in most cases, this compound has more advantages.

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

Name: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about (Z)-1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one. Author is Yin, Ben-Tao; Lv, Jing-Song; Wang, Yan; Zhou, Cheng-He.

In the title mol., C17H10F3N3O, the C=C bond connecting the triazole ring and 4-fluorophenyl groups adopts a Z conformation. The triazole ring forms dihedral angles of 15.3(1) and 63.5(1)°, with the 2,4-difluoro-substituted and 4-fluoro-substituted benzene rings, resp. The dihedral angle between the two benzene rings is 51.8(1)°. Crystallog. data and at. coordinates are given.

After consulting a lot of data, we found that this compound(86404-63-9)Name: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone can be used in many types of reactions. And in most cases, this compound has more advantages.

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

Computed Properties of C7H7NO2. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Discovery of novel bacterial FabH inhibitors (Pyrazol-Benzimidazole amide derivatives): Design, synthesis, bioassay, molecular docking and crystal structure determination. Author is Wang, Yan-Ting; Shi, Tian-Qi; Fu, Jie; Zhu, Hai-Liang.

The enzyme FabH catalyzes the initial step of fatty acid biosynthesis that is essential for bacterial survival. Therefore, FabH has been identified as an attractive target for the development of new antibacterial agents. We present here the discovery of a promising new series of Pyrazol-Benzimidazole amides with low toxicity and potent FabH inhibitory. Twenty-seven novel compounds have been synthesized, and all the compounds were characterized by 1H NMR, 13C NMR and MS. Afterwards they were evaluated for in-vitro antibacterial activities against E. coli, P. aeruginosa, B. subtilis and S. aureus, along with E. coli FabH inhibition and cytotoxicity test. Some compounds proved to be of low toxicity and potent, especially compound I exhibited the most potential to be a new drug with MIC of 0.49-0.98 μg/mL against the tested bacterial strains and IC50 of 1.22 μM against E. coli FabH. Some analogs with low range MIC against wild type Xanthomonas Campestris exhibited no inhibition against FabH-deficient mutant strain, which firmly proved the class of compounds arrived at antibacterial activity via interacting with FabH. In silico ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) evaluation also pointed out that these compounds are potential for druggability. Further, effective overall docking scores of all the compounds have been recorded, and docking simulation of compound I into E. coli FabH binding pocket has been conducted, where solid binding interactions has been identified.

After consulting a lot of data, we found that this compound(3222-47-7)Computed Properties of C7H7NO2 can be used in many types of reactions. And in most cases, this compound has more advantages.

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

COA of Formula: 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 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. Author is Tao, Xiao; Yuan, Lin; Zhang, Xiao-Qing; Jing, Chen; Wang, Jin-Tang.

In the mol. of 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, C10H7F2N3O, the dihedral angle between the planar rings is 84.00(4)°. Intermol. C-H···N H bonds link the mols. and may be effective in stabilizing the crystal structure. Crystallog. data are given.

After consulting a lot of data, we found that this compound(86404-63-9)COA of Formula: C10H7F2N3O can be used in many types of reactions. And in most cases, this compound has more advantages.

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

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Structure-Based Optimization of Azole Antifungal Agents by CoMFA, CoMSIA, and Molecular Docking.Category: triazoles.

In a continuing effort to develop highly potent azole antifungal agents, the three-dimensional quant. structure-activity relationship methods, CoMFA and CoMSIA, were applied using a set of novel azole antifungal compounds The binding mode of the compounds at the active site of lanosterol 14α-demethylase was further explored using the flexible docking method. Various hydrophobic, van der Waals, π-π stacking, and hydrogen bonding interactions were observed between the azoles and the enzyme. Based on results from the mol. modeling, a receptor-based pharmacophore model was established to guide the rational optimization of the azole antifungal agents. Thus, a total of 57 novel azoles were designed and synthesized by a three-step optimization process. In vitro antifungal assay revealed that the antifungal activities of these novel azoles were greatly improved, which confirmed the reliability of the model from mol. modeling.

After consulting a lot of data, we found that this compound(86404-63-9)Category: triazoles can be used in many types of reactions. And in most cases, this compound has more advantages.

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