Tag: M.W:200-300

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 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol, published in 2012-02-29, which mentions a compound: 86404-63-9, Name is 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, Molecular C10H7F2N3O, Application of 86404-63-9.

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.

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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 Fluconazole analogues containing 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moieties, a novel class of anti-Candida agents, the main research direction is triazole oxiranylmethyl aryl alkylation benzoxazinone benzothiazinone; benzoxazinone triazolylpropyl hydroxy aryl preparation antifungal SAR Candida fungicide; benzothiazinone triazolylpropyl hydroxy aryl preparation antifungal SAR Candida fungicide; fluconazole benzothiazinone benzoxazinone analog preparation antifungal SAR Candida fungicide.Recommanded Product: 86404-63-9.

A series of fluconazole analogs was designed and synthesized wherein one of the triazole moieties in fluconazole was replaced with 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moiety, e.g., I (R1 = H, R2 = Br, R3 = 7-MeO, X = S). The new chem. entities thus synthesized were screened against various fungi and it was observed that compounds I (R1 = R2 = F, R3 = H, X = O, S) were potent inhibitors of Candida strains. The structure-activity relationship for these compounds was discussed.

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

Electric Literature 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 Direct resolution of a new antifungal agent, voriconazole (UK-109,496) and its potential impurities, by use of coupled achiral-chiral high-performance liquid chromatography. Author is Ferretti, R.; Gallinella, B.; La Torre, F.; Zanitti, L..

Coupled achiral-chiral high-performance liquid chromatog. (HPLC) with an achiral amino-based column coupled with a chiral amylose-based column was used for qual. and quant. determination of the potential chiral and achiral impurities of voriconazole (UK-109,496), a new antifungal agent with two stereogenic centers. The effect of the organic mobile-phase modifier, ethanol, was studied. The assay response was linearly dependent on concentration over the range 1.2-40.4 μg for voriconazole and 2.5-104.0 ng for the impurities. The limit of detection was 2.5 ng for each analyte.

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

Electric Literature 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 Preparation and adsorption properties of Ni(II) ion-imprinted polymers based on synthesized novel functional monomer. Author is Zhao, Li; Hu, Xianzhi; Zi, Futing; Liu, Yingmei; Hu, Deqiong; Li, Peng; Cheng, Huiling.

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

Jiang, Zhigan; Wang, Yan; Wang, Wenya; Wang, Shengzheng; Xu, Bo; Fan, Guorong; Dong, Guoqiang; Liu, Yang; Yao, Jianzhong; Miao, Zhenyuan; Zhang, Wannian; Sheng, Chunquan published the article 《Discovery of highly potent triazole antifungal derivatives by heterocycle-benzene bioisosteric replacement》. Keywords: triazole derivative preparation antifungal pharmacokinetic structure activity.They researched the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9 ).Reference of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. 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:86404-63-9) here.

On the basis of the authors’ previously discovered triazole antifungal lead compounds, heterocycle-benzene bioisosteric replacement was used to improve their pharmacokinetic profile. The designed new triazole derivatives have good antifungal activity toward a wide range of pathogenic fungi. Their binding mode with the target enzyme was clarified by mol. docking. The MIC value of the highly potent compound 1-(4-(benzo[d]thiazol-2-yl-methyl)piperazin-1-yl)-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol against Candida albicans, Candida tropicalis, and Cryptococcus neoformans is 0.016 μg/mL, 0.004 μg/mL, and 0.016 μg/mL, resp. Moreover, preliminary pharmacokinetic studies revealed that it showed improved oral absorption as compared to the lead compound iodiconazole and deserved for further evaluations.

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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 Sequencing Groebke-Blackburn-Bienayme and Aza-Michael Addition Reactions: A Modular Strategy for Accessing a Diverse Collection of Constrained Benzoxazepine and Imidazopyrazine Systems, published in 2021-06-30, which mentions a compound: 65705-44-4, Name is 4-(4-Bromophenyl)-5-methylthiazol-2-amine, Molecular C10H9BrN2S, Application of 65705-44-4.

A divergent strategy that permitted the access to diversely functionalized benzoxazepinium scaffolds fused to various heterocycles was reported. The described strategy featured a one-pot combination of the Groebke-Blackburn-Bienaym reaction and an aza-Michael addition Me (E)-4-(2-formylphenoxy)but-2-enoates were utilized as central elements in this cascade. These building blocks were reacted with a variety of functionalized amino-azines and tert-Bu isocyanide under ytterbium triflate [Yb(OTf)3] catalysis. The cascade represented a rapid, modular and atom-economic process that leaded to the construction of a diverse collection of constrained benzoxazepinium systems from a wide substrate scope.

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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. 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.

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

Pullen, Frank S.; Swanson, Alistair G.; Newman, Michael J.; Richards, Don 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 ).Safety 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.

Liquid chromatog. (LC), simultaneously coupled with both NMR and mass spectrometry (MS) ‘online’ is a powerful structural tool and has a potentially vast range of uses within the pharmaceutical industry. Data from a mixture of fluconazole and related triazoles were obtained from an LC/NMR-MS system developed ‘inhouse’, demonstrating the power of this novel anal. approach.

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

HPLC of Formula: 65705-44-4. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 4-(4-Bromophenyl)-5-methylthiazol-2-amine, is researched, Molecular C10H9BrN2S, CAS is 65705-44-4, about Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. Author is Peng, Yi-Hui; Liao, Fang-Yu; Tseng, Chen-Tso; Kuppusamy, Ramajayam; Li, An-Siou; Chen, Chi-Han; Fan, Yu-Shiou; Wang, Sing-Yi; Wu, Mine-Hsine; Hsueh, Ching-Cheng; Chang, Jia-Yu; Lee, Lung-Chun; Shih, Chuan; Shia, Kak-Shan; Yeh, Teng-Kuang; Hung, Ming-Shiu; Kuo, Ching-Chuan; Song, Jen-Shin; Wu, Su-Ying; Ueng, Shau-Hua.

Indoleamine 2,3-dioxygenase (IDO1) inhibitors are speculated to be useful in cancer immunotherapy, but a phase III clin. trial of the most advanced IDO1 inhibitor, epacadostat, did not meet its primary endpoint and was abandoned. In previous work we identified the novel IDO1 inhibitor N-(4-chlorophenyl)-2-((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)acetamide 1 through high-throughput screening (HTS). Herein, we report a structure-activity relationship (SAR) study of this compound, which resulted in the potent IDO1 inhibitor 1-(4-cyanophenyl)-3-(3-(cyclopropylethynyl)imidazo[2,1-b]thiazol-5-yl)thiourea 47 (hIDO IC50 = 16.4 nM). X-ray co-crystal structural anal. revealed that the basis for this high potency is a unique sulfur-aromatic interaction network formed by the thiourea moiety of 47 with the F163 and F226. This finding is expected to inspire new approaches towards the discovery of potent IDO1 inhibitors in the future.

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

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, Article, Acta Crystallographica, Section E: Structure Reports Online called (2,4-Difluorophenyl)[1-(1H-1,2,4-triazol-1-yl)cyclopropyl]methanone, Author is Wu, Chunli; Lei, Wei; Ma, Huiyan; Qiao, Jiabin; Li, Aixing, which mentions a compound: 86404-63-9, SMILESS is FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1, Molecular C10H7F2N3O, Product Details of 86404-63-9.

The asym. unit of the title compound, C12H9F2N3O, contains two independent mols. (A and B) in which the benzene and cyclopropane rings form dihedral angles of 33.0(1) and 29.7(1)°, resp. In the crystal, weak intermol. C-H···O hydrogen bonds link alternating A and B mols. into chains along [010].

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