Month: April 2022

Safety of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. 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 Novel triazole alcohol antifungals derived from fluconazole: design, synthesis, and biological activity. Author is Hashemi, Seyedeh Mahdieh; Badali, Hamid; Faramarzi, Mohammad Ali; Samadi, Nasrin; Afsarian, Mohammad Hosein; Irannejad, Hamid; Emami, Saeed.

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.

Different reactions of this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)Safety of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone require different conditions, so the reaction conditions are very important.

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

Computed Properties 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 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.

Different reactions of this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)Computed Properties of C10H7F2N3O require different conditions, so the reaction conditions are very important.

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

Formula: 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 7-Fluoro-2-(prop-2-en-1-ylsulfanyl)-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one. Author is Liu, Dong Liang; Xiao, Tao; Li, Yang; Yu, Guang Yan; Li, Chen.

The asym. unit of the title compound, C14H10FN3OS2, contains two independent mols. which differ in the relative orientations of the triazole and allylsulfanyl groups with respect to the planar thiochromen-4-one frameworks. The N-N-C-C torsion angles are 128.2(5) and -120.9(5)°, while the C-S-C-S torsion angles are -17.4(4) and 16.4(4)°. In the crystal, intermol. C-H···O and C-H···N hydrogen bonds link the mols. in a stacked arrangement along the a axis.

Different reactions of this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)Formula: C10H7F2N3O require different conditions, so the reaction conditions are very important.

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

Basu, Subhadwip; Yang, Jeffrey; Xu, Bin; Magiera-Mularz, Katarzyna; Skalniak, Lukasz; Musielak, Bogdan; Kholodovych, Vladyslav; Holak, Tad A.; Hu, Longqin published the article 《Design, Synthesis, Evaluation, and Structural Studies of C2-Symmetric Small Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction》. Keywords: preparation C2 small mol inhibitor PD1 PDL1 interaction cancer.They researched the compound: 5-(Chloromethyl)nicotinonitrile( cas:562074-59-3 ).Electric Literature of C7H5ClN2. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:562074-59-3) here.

A series of C2-sym. inhibitors was designed and evaluated for inhibitory activity against the programmed cell death-1/programmed death-ligand 1(PD-1/PD-L1) protein-protein interaction (PPI) in a homogeneous time-resolved fluorescence (HTRF) assay and PD-1 signaling in cell-based coculture assays. C2-sym. inhibitors 2a (LH1306) and 2b (LH1307) exhibited IC50 values of 25 and 3.0 nM, resp., in the HTRF assay. While 2a was ∼3.8-fold more potent than previously reported inhibitor 1a, 2b could not be differentiated from 1b due to their high potency and the limit of our HTRF assay conditions. In one cell-based coculture PD-1 signaling assay, 2a and 2b were 8.2- and 2.8-fold more potent in inhibiting PD-1 signaling than 1a and 1b, resp. NMR and X-ray cocrystal structural studies provided more structural insights into the interaction between 2b and PD-L1; 2b binds to PD-L1 at the PD-1 binding site and induces the formation of a more sym. arranged PD-L1 homodimer than that previously reported for other inhibitors.

Different reactions of this compound(5-(Chloromethyl)nicotinonitrile)Electric Literature of C7H5ClN2 require different conditions, so the reaction conditions are very important.

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

Computed Properties of C10H7F2N3O. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. 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.

Different reactions of this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)Computed Properties of C10H7F2N3O require different conditions, so the reaction conditions are very important.

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 Synthesis and structure-activity relationships of a novel antifungal agent, ICI 195,739, published in 1988, which mentions a compound: 86404-63-9, Name is 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, Molecular C10H7F2N3O, Computed Properties of C10H7F2N3O.

Antifungal azole derivatives are known to have potential for inhibition of host P 450 systems, and, in the attempts to increase the antifungal specificity of the inhibitor by identification of extra receptor binding within the enzyme complex, initial synthesis was guided by the structural requirements of the natural lanosterol substrate. With the aid of computer graphics, the 3′-styryl functionality was identified as a key structural element. For metabolically stable systems, in vitro-in vivo correlations exist, but optimizing oral activity resulted in the production of compounds with unacceptably long elimination half-lives. A disconnection of this relationship was achieved in pairs of structural isosteres with metabolic nonequivalence (CN:CONH2/OCH3:OCF3) and led to the identification of ICI 195,739 (I), a novel 3′-tetrafluoropropoxystyryl-substituted bistriazole tertiary alc., as the compound of choice.

Different reactions of this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)Computed Properties of C10H7F2N3O require different conditions, so the reaction conditions are very important.

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

Electric Literature 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 (Z)-1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone oxime. Author is Yu, Guang-yan; Li, Chen; Xiao, Tao; Li, Song; Tian, Xin.

In the title compound, C10H8F2N4O, the dihedral angle between the rings is 65.4(1)°. In the crystal, intermol. O-H…N and C-H…F H bonds link the mols. in a stacked arrangement along the a and c axes, resp. Crystallog. data and at. coordinates are given.

Different reactions of this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)Electric Literature of C10H7F2N3O require different conditions, so the reaction conditions are very important.

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.Name: 6-Methylnicotinic acid.Kurosawa, Miki B.; Isshiki, Ryota; Muto, Kei; Yamaguchi, Junichiro published the article 《Catalytic deoxygenative coupling of aromatic esters with organo-phosphorus compounds》 about this compound( cas:3222-47-7 ) in ChemRxiv. Keywords: benzyl phosphine oxide phosphonate phosphinate preparation reductive phosphorylation ester; aryl phenyl ester reduction phosphorylation secondary phosphine oxide phosphonate; reductive coupling aryl ester preparation phosphine oxide phosphonate phosphinate. Let’s learn more about this compound (cas:3222-47-7).

We have developed a deoxygenative coupling of aromatic esters with diarylphosphine oxides/dialkyl phosphonates under palladium catalysis. Reaction of Ph aromatic esters ArCO2Ph with hydrophosphoryl compounds HP(O)R2 (R = Ph, aryl, BuO) in the presence of PdCl2/dcype and HCO2Na reductant afforded benzyl phosphine oxides, phosphonates and phosphinates ArCH2P(O)R2. In this reaction, aromatic esters can work as novel benzylation reagents to give the corresponding benzylic phosphorus compounds The key of this reaction is the use of Ph esters, an electron-rich diphosphine as a ligand, and sodium formate as a hydrogen source. Arylcarboxylic acids were also applicable in this reaction using (Boc)2O as an additive. Palladium/dcype worked as a bifunctional catalyst to activate the acyl C-O bond of the ester and to support the reduction with sodium formate.

Different reactions of this compound(6-Methylnicotinic acid)Name: 6-Methylnicotinic acid require different conditions, so the reaction conditions are very important.

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

Liu, Dong-liang; Li, Chen; Tian, Xin; Li, Song; Xiao, Tao published an article about the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9,SMILESS:FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1 ).Quality Control of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. 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:86404-63-9) through the article.

In 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol, C10H9F2N3O, the dihedral angle between the rings is 22.90(4)°. In the crystal, C-H···F and O-H···N H bonds link the mols. into chains along [010]. Crystallog. data are given.

Different reactions of this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)Quality Control of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone require different conditions, so the reaction conditions are very important.

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

Creaser, Colin S.; Stygall, James W.; Bowen, David V.; Pullen, Frank S. published an article about the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9,SMILESS:FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1 ).Name: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. 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:86404-63-9) through the article.

Normal phase liquid chromatog. combined with particle beam mass spectrometry has been applied to the anal. of fluconazole, an anti-fungal agent, [2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol] and a related intermediate, UK-51060 [2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)ethan-2-one]. Electron ionization and chem. ionization have been investigated in combination with quadrupole ion trap and magnetic sector mass spectrometers and the spectra obtained compared with those for direct probe anal. A novel method for the introduction of the chem. ionization reagent gas via the interface is described for particle beam-magnetic sector mass spectrometry. Multi-stage scan routines have been implemented on the ion trap for the selective storage of analyte species and removal of solvent ions. Detection limits for both spectrometers have been determined and are discussed in terms of interface geometry and analyte transport characteristics. Normal phase HPLC on silica provided a good separation of the intermediate from the later eluting fluconazole peak.

The article 《Particle beam-mass spectrometric analysis of difluorophenyl triazole compounds using normal phase-HPLC》 also mentions many details about this compound(86404-63-9)Name: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, you can pay attention to it, because details determine success or failure

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