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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: 65705-44-4, is researched, SMILESS is NC1=NC(C2=CC=C(Br)C=C2)=C(C)S1, Molecular C10H9BrN2SJournal, Asian Journal of Chemistry called Synthesis and antimicrobial activities of some novel 2,3-substituted-1,3-thiazolidin-4-ones derived from 2-amino-1,3-thiazole, Author is Maher, K., the main research direction is Staphylococcus Escherichia Pseudomonas Candida antimicrobial antifungal.Electric Literature of C10H9BrN2S.

New 2,3-substituted-1,3-thiazolidin-4-one (6a-f) were prepared by cyclocondensation of 2-[6-(4-chlorobenzyloxy)-2-naphthyliden]-4- (4-substituted phenyl)-5-methyl-1,3-thiazole (5a-f) and mercaptoacetic acid in benzene. The synthesized compounds were characterized on the basis of elemental anal., 1H NMR, 13C NMR and FT-IR. The prepared compounds have been screened in vitro against two Gram- pos. Staphylococcus aureus, Staphylococcus epidermidis, and two Gram-neg. Escherichia coli, Pseudomonas aernuginosa for antibacterial activity and two fungal strains Candida albicans, Candida krusei for antifungal activity using ciprofloxacin, ampicillin and ketoconazole with minimal inhibitory concentration (MIC) value of 10 mcg/L in DMSO. Compounds 6a and 6d showed good antibacterial and antifungal activities compared to reference medications utilized within this study.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 4-(4-Bromophenyl)-5-methylthiazol-2-amine(SMILESS: NC1=NC(C2=CC=C(Br)C=C2)=C(C)S1,cas:65705-44-4) is researched.Computed Properties of F2H8NiO4. The article 《Discovery of thiazolyl-phthalazinone acetamides as potent glucose uptake activators via high-throughput screening》 in relation to this compound, is published in Bioorganic & Medicinal Chemistry Letters. Let’s take a look at the latest research on this compound (cas:65705-44-4).

With the aim to discover orally active small mols. that stimulate glucose uptake, high throughput screening of a library of 5000 drug-like compounds was conducted in differentiated skeletal muscle cells in presence of insulin. N-Substituted phthalazinone acetamide was identified as a potential glucose uptake modulator. Several novel derivatives were synthesized to establish structure activity relationships. Identified lead thiazolyl-phthalazinone acetamide (7114863; I) increased glucose uptake (EC50 of 0.07±0.02 μM) in differentiated skeletal muscle cells in presence of insulin. Furthermore, I was superior to rosiglitazone under similar exptl. conditions without inducing PPAR-γ agonist activity thus making it a very interesting scaffold.

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SDS of cas: 86404-63-9. 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 Improved model of lanosterol 14α-demethylase by ligand-supported homology modeling: validation by virtual screening and azole optimization. Author is Sheng, Chunquan; Wang, Wenya; Che, Xiaoying; Dong, Guoqiang; Wang, Shengzheng; Ji, Haitao; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian.

Lanosterol 14α-demethylase (CYP51) is an important target for antifungal drugs. An improved three-dimensional model of CYP51 from Candida albicans (CACYP51) was constructed by ligand-supported homol. modeling and mol. dynamics simulations. The accuracy of the constructed model was evaluated by its performance in a small-scale virtual screen. The results show that known CYP51 inhibitors were efficiently discriminated by the model, and it performed better than our previous CACYP51 model. The active site of CACYP51 was characterized by multiple copy simultaneous search (MCSS) calculations On the basis of the MCSS results, a series of novel azoles were designed and synthesized, and they showed good in vitro antifungal activity with a broad spectrum. The MIC80 value of four of these compounds against C. albicans is 0.001 μg mL-1, indicating that they are promising leads for the discovery of novel antifungal agents.

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1,2,3-Triazole – Wikipedia,
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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. 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 evaluation of clinafloxacin triazole hybrids as a new type of antibacterial and antifungal agents, the main research direction is clinafloxacin triazole hybrid preparation antibacterial antifungal.Reference of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone.

A series of clinafloxacin triazole hybrids as a new type of antibacterial and antifungal agents were synthesized for the first time and screened for their antimicrobial efficacy against four Gram-pos. bacteria, four Gram-neg. bacteria, and two fungi by two fold serial dilution technique. The bioactive assay indicated that most of the target compounds displayed broad antimicrobial spectrum and good antibacterial and antifungal activities with low MIC values ranging from 0.25 to 2 μg/mL against all the tested strains which exhibited comparable or even better efficiency in comparison with the reference drugs Chloramphenicol, Clinafloxacin, and Fluconazole, resp. Notably, some synthesized clinafloxacin triazoles showed stronger efficacy against methicillin-resistant Staphylococcus aureus than their parent Clinafloxacin.

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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, Research Support, Non-U.S. Gov’t, European Journal of Medicinal Chemistry called 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, the main research direction is triazole preparation cytochrome P 450 14 alpha demethylase inhibitor; mol modeling triazole cytochrome P 450 14 alpha demethylase.Application In Synthesis of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone.

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 of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. 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 Spray-dried voriconazole-cyclodextrin complexes: Solubility, dissolution rate and chemical stability.

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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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 Preparation and adsorption properties of Ni(II) ion-imprinted polymers based on synthesized novel functional monomer, the main research direction is nickel imprinted polymer preparation adsorption property.Recommanded Product: 86404-63-9.

In this study, a novel functional monomer N-(1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)acrylamide (NDTEA) was designed and synthesized, and was used to prepare Ni(II) ion-imprinted polymers (Ni(II)-IIPs). Sixteen kinds of Ni(II)-IIP (Ni(II)-IIP1 – 16) and corresponding non-imprinted polymers (NIP1 – 16) were prepared by precipitation polymerization method. After optimized condition experiment, Ni(II)-IIP5 possessed maximum adsorption capacity and better imprinting factor under optimal exptl. conditions which indicated by equilibrium adsorption experiments The morphol. and structural characteristics of Ni(II)-IIP5 were characterized by SEM and Brunauer-Emmett-Teller (BET). The adsorption selectivity of Ni(II)-IIP5 was analyzed by ICP-OES, and the results showed that Ni(II)-IIP5 had favorable selectivity recognition ability for Ni(II) when Cu(II), Co(II), and Cd(II) are used as competitive ions. The kinetic experiment indicated that the performance of Ni(II) adsorption on the surface of Ni(II)-IIP5 obeyed the pseudo-first-order model, and adsorption equilibrium was attained after 15 min. Isothermal adsorption process fitted to Langmuir and Freundlich isothermal adsorption models, simultaneously. The results showed that Ni(II)-IIP5 prepared by using a new functional monomer had better permeation selectivity and higher affinity for Ni(II), which also verified the rationality of the functional monomer design. At the same time, it also provided a broad application prospect for removal of Ni(II) in complex samples.

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Related Products of 86404-63-9. 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 New triazole derivatives as antifungal agents: Synthesis via click reaction, in vitro evaluation and molecular docking studies. Author is Zou, Yan; Zhao, Qingjie; Liao, Jun; Hu, Honggang; Yu, Shichong; Chai, Xiaoyun; Xu, Mingjuan; Wu, Qiuye.

A series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols, which are analogs of fluconazole, have been designed and synthesized via Cu(I)-catalyzed azide-alkyne cycloaddition on the basis of computational docking experiments to the active site of the cytochrome P 450 14α-demethylase (CYP51). The in vitro antifungal activities of all the target compounds were evaluated against eight human pathogenic fungi. 4-Methylbenzyl-substituted compound I showed the best antifungal activities.

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In an effort to find potent antifungal agents, a variety of triazole derivatives with a 5-substituted tetrazole structure, e.g., I, were prepared and evaluated for antifungal activity against Candida spp., Cryptococcus neoformans, and Aspergillus spp. in vitro. The location of the Me group at the C-3 of of two of the series has been demonstrated to be a key structural element of antifungal potency.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, MedChemComm called Discovery of highly potent antifungal triazoles by structure-based lead fusion, Author is Wang, Wenya; Wang, Shengzheng; Dong, Guoqiang; Liu, Yang; Guo, Zizhao; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan, which mentions a compound: 86404-63-9, SMILESS is FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1, Molecular C10H7F2N3O, HPLC of Formula: 86404-63-9.

By means of structure-based lead fusion, a series of novel drug-like azoles possessing 4-(benzyloxy)piperidin-1-yl side chains were rationally designed and synthesized. Flexible mol. docking studies indicated that the newly synthesized azoles took advantages of the key interactions between the two lead structures and CACYP51. As a result, they revealed improved antifungal activity and broader spectrum. All the new azoles showed good to excellent in vitro antifungal activity against all of the tested pathogenic fungi (MIC80 range: 2.33-0.01 μM). Compounds 10a, 10g and 10h, the most active azoles toward Candida albicans (MIC80 = 0.01 μM) are 82 fold more potent than fluconazole. In particular, all the compounds also showed good activity against Aspergillus fumigatus (MIC80 = 2.33-0.55 μM) that is not sensitive to fluconazole.

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