Day: April 19, 2022

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 86404-63-9, is researched, SMILESS is FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1, Molecular C10H7F2N3OJournal, Article, ACS Omega called Design, Synthesis, and In Vitro and In Vivo Evaluation of Novel Fluconazole-Based Compounds with Promising Antifungal Activities, Author is Shafiei, Mohammad; Toreyhi, Hossein; Firoozpour, Loghman; Akbarzadeh, Tahmineh; Amini, Mohsen; Hosseinzadeh, Elaheh; Hashemzadeh, Mehrnoosh; Peyton, Lee; Lotfali, Ensieh; Foroumadi, Alireza, the main research direction is fluconazole derivative antifungal broad spectrum azole antibiofilm.Product Details of 86404-63-9.

Demand has arisen for developing new azole antifungal agents with the growth of the resistant rate of infective fungal species to current azole antifungals in recent years. Accordingly, the present study reports the synthesis of novel fluconazole (FLC) analogs bearing urea functionality that led to discovering new azole agents with promising antifungal activities. In particular, compounds 8b (I) and 8c (II) displayed broad-spectrum activity and superior in vitro antifungal capabilities compared to the standard drug FLC against sensitive and resistant Candida albicans (C. albicans). The highly active compounds 8b and 8c had potent antibiofilm properties against FLC-resistant C. albicans species. Addnl., these compounds exhibited very low toxicity for three mammalian cell lines and human red blood cells. Time-kill studies revealed that our synthesized compounds displayed a fungicidal mechanism toward fungal growth. Furthermore, a d. functional theory (DFT) calculation, addnl. docking, and independent gradient model (IGM) studies were performed to analyze their structure-activity relationship (SAR) and to assess the mol. interactions in the related target protein. Finally, in vivo results represented a significant reduction in the tissue fungal burden and improvements in the survival rate in a mice model of systemic candidiasis along with in vitro and in silico studies, demonstrating the therapeutic efficiency of compounds 8b and 8c as novel leads for candidiasis drug discovery.

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

Synthetic Route of C10H7F2N3O. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. 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. Author is Katta, Rambabu; Ramasrinivas; Rao, G. N..

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.

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

Safety of 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 Design, synthesis and antifungal activity of novel triazole derivatives. Author is Sheng, Chun Quan; Zhang, Wan Nian; Ji, Hai Tao; Song, Yun Long; Zhang, Min; Zhou, You Jun; Lu, Jia Guo; Zhu, Jue.

Twenty-one 1-(1H-1,2,4-triazolyl)-2-(2,4-diflurophenyl)-3-(4-substituted-1-piperazinyl)-2-propanol derivatives were designed and synthesized, on the basis of the active site of lanosterol 14α-demethylase. In vitro antifungal activities showed that some of the target compounds had higher antifungal activity and broader antifungal spectrum than fluconazole.

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

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 86404-63-9, is researched, Molecular C10H7F2N3O, about Synthesis of fluconazole, the main research direction is fluconazole preparation.Recommanded Product: 86404-63-9.

The improved synthetic technol. of fluconazole was presented. Fluconazole was produced by 4-step reactions with m-difluorobenzenes as starting material and PEG as phase-transfer catalyst, including acylating with chloroacetyl chloride, substitution reaction with 1,2,4-triazole, the reaction with Me3SOI, and ring opening with 1,2,4-triazole. The product could remove impurity of identical structure after recrystallization, with a yield above 50%. The purity of product was above 98.5%, the quality was stable, and the process is reliable.

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

Electric Literature of C10H7F2N3O. 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 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

Formula: C5H3BrClNO. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 2-Bromo-5-chloropyridin-3-ol, is researched, Molecular C5H3BrClNO, CAS is 127561-70-0, about Chemistry of 3-hydroxypyridine. Part 3. Synthesis of substituted 3-[fluoro(chloro)alkoxy]pyridines from halo- or amino-3-hydroxypyridines. Author is Fuss, Andreas; Koch, Volker.

The nucleophilic addition of 3-hydroxypyridine to F2C:CFCF3 gave 73% 3-[(1,1,2,3,3,3-pentafluoropropyl)oxy]pyridine. The preparation of other 3-[(fluoroalkyl)oxy]pyridines from polyfluoroalkenes and hydroxpyridine derivatives is described.

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

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 86404-63-9, is researched, Molecular C10H7F2N3O, about Novel triazole alcohol antifungals derived from fluconazole: design, synthesis, and biological activity, the main research direction is triazole alc antifungal fluconazole design synthesis biol activity.Category: triazoles.

A series of new triazole alc. antifungals were designed by replacing one of the triazolyl moiety from fluconazole with a distinct 4-amino-3-mercapto-1,2,4-triazole motif, which is found in some antimicrobial agents. The antimicrobial susceptibility testing of target compounds demonstrated that the direct analogs of fluconazole (difluorophenethyl-triazoles) were less active against fungi, while compound 10h containing dichloro substitutions on both Ph rings of the mol. had potent activity against yeasts including Candida albicans (four strains) and Cryptococcus neoformans (MICs = 2-8 μg/mL). Also, compound 10h was active against Candida parapsilosis, Epidermophyton floccosum, and Trichophyton mentagrophytes, while it showed no activity against Gram-pos. and Gram-neg. bacteria. Finally, a mol. docking study suggested that compound 10h interacts suitably with lanosterol 14α-demethylase, which is the key enzyme in ergosterol biosynthesis.

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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: 4-(4-Bromophenyl)-5-methylthiazol-2-amine( cas:65705-44-4 ) is researched.Quality Control of 4-(4-Bromophenyl)-5-methylthiazol-2-amine.Hanke, Thomas; Lamers, Christina; Gomez, Roberto Carrasco; Schneider, Gisbert; Werz, Oliver; Schubert-Zsilavecz, Manfred published the article 《Identification of pirinixic acid derivatives bearing a 2-aminothiazole moiety combines dual PPARα/γ activation and dual 5-LO/mPGES-1 inhibition》 about this compound( cas:65705-44-4 ) in Bioorganic & Medicinal Chemistry Letters. Keywords: preparation pirinixic acid derivative aminothiazole PPAR 5LO mPGES1 cancer; 5-LO; Cancer; Inflammation; PPARα; PPARγ; mPGES-1. Let’s learn more about this compound (cas:65705-44-4).

The concept of dual PPARα/γ activation was originally proposed as a new approach for the treatment of the metabolic syndrome. However, recent results indicated that PPARα as well as PPARγ activation might also be beneficial in the treatment of inflammatory diseases and cancer. We have recently identified aminothiazole-featured pirinixic acids as dual 5-lipoxygenase (5-LO) and microsomal prostaglandin E2 synthase-1 (mPGES-1) inhibitors. Here we present the structure-activity relationship of these aminothiazole-featured pirinixic acids as dual PPARα/γ agonists and discuss their advantages with their potential as dual 5-LO/mPGES-1 inhibitors in inflammatory and cancer diseases. Various pirinixic acid derivatives had already been identified as dual PPARα/γ agonists. However, within this series of aminothiazole-featured pirinixic acids we were able to identify the most potent selective PPARγ agonistic pirinixic acid derivative (compound 13, (2-[(4-chloro-6-{[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]amino}pyrimidin-2-yl)sulfanyl]octanoic acid)). Therefore, docking of 13 on PPARγ was performed to determine the potential binding mode.

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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 Method development and validation study for quantitative determination of genotoxic impurity and its precursor in fluconazole sample by liquid chromatography-tandem mass spectrometry.Formula: C10H7F2N3O.

Objective: The objective of this work is method development and validation study for quant. determination of 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole, a genotoxic impurity and its precursor in a fluconazole drug sample by liquid chromatog.-tandem mass spectrometry. Methods: LC-MS/MS anal. of these impurities was performed on Hypersil BDS C18 (100 mm x 4.0 mm, 3 μm) column. 5 mmol ammonium acetate and acetonitrile in the ratio of 65:35 (volume/volume) was used as the mobile phase with a flow rate of 0.4 mL/min. The developed method was accomplished with a short run time of 10 min. Triple quadrupole mass detector coupled with pos. electrospray ionization was used for the quantification of genotoxic impurities in multiple reaction monitoring (MRM). Results: The method was validated as per International Conference on Harmonization (ICH) guidelines. The method was linear in the range of 0.30 μg/g to 11.37 μg/g for impurity A and 0.30 μg/g to 11.34 μg/g for impurity B with a correlation coefficient of 0.999. The accuracy of the method was in the range of 98.25 % to 100.53 % for both impurities. Conclusion: A specific, selective, highly sensitive and more accurate anal. method using LC-MS/MS coupled with pos. electrospray ionization has been developed for the quantification of genotoxic impurity (1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole) and its precursor (1-(2,4-difluorophenyl)-2-[1,2,4]triazol-1-yl-ethanone) at 0.3 μg/g with respect to the 5.0 mg/mL of fluconazole.

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

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Synthesis of Schiff base having a heterocyclic moiety along with its cyclized derivatives and study of their antifungal activities, published in 2012, which mentions a compound: 86404-63-9, mainly applied to difluorophenyl triazolyl ethanone semicarbazone preparation antifungal; triazolyl methyl acetyl acetylamino thiadiazoline preparation antifungal; acetyl amino thiadiazoline preparation antifungal, Computed Properties of C10H7F2N3O.

Synthesis of Schiff’s base 1-[(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)]ethanone thiosemicarbazone (I) prepared by condensation of 1-(2,4-difluorophenyl)-2-[1(H)-1,2,4-triazol-1-yl]ethanone with thiosemicarbazide is discussed. Further, I was cyclized using acetic anhydride to form triazolyl thiadiazoline II [R = C(O)CH3] and finally hydrolyzed using hydrazine hydrate to form thiadiazoline II [R = H]. All the synthesized compounds were tested for anti-fungal activity and most of the compounds were potent than the starting material as well as the known antifungal compound Fluconazole.

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