Day: April 13, 2022

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, Zhongguo Yaowu Huaxue Zazhi called Optimization and study on the synthesis of fluconazole, Author is Wu, Chunli; Li, Xing; Shi, Xiufang; Shi, Yuntao; Wang, Minglin, which mentions a compound: 86404-63-9, SMILESS is FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1, Molecular C10H7F2N3O, SDS of cas: 86404-63-9.

An improved process for the preparation of fluconazole is described. 1,3-Difluorobenzene underwent Friedel-Crafts acetylation with chloroacetyl chloride without solvent to give 2,4-difluorophenylacetyl chloride in 98% yield. This chloride was substituted with 1H-1,2,4-triazole in refluxing toluene in the presence of sodium bicarbonate, leading to 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone in 71% yield. Finally, one-pot Corey-Chaykovsky reaction of the carbonyl with Me3SOI followed by ring-opening with 1H-1,2,4-triazole to afford fluconazole in 76% yield.

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

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Discovery of N-indanyl benzamides as potent RORγt inverse agonists, the main research direction is indanylbenzamide ROR gammat inverse agonist Th17 autoimmune disease drug; Autoimmune diseases; Binding modes; N-indanyl benzamides; RORγt inverse agonists; Th17 cells.Formula: C7H7NO2.

The retinoic acid receptor-related orphan receptor-gamma-t (RORγt) is a promising therapeutic target for treatment of Th17 cell-mediated autoimmune diseases. Based on a scaffold hopping/conformational restriction strategy, a series of N-indanyl benzamides as novel RORγt inverse agonists was discovered. Exploration of structure-activity relationship on the piperazine ring, benzoyl moiety and cyclopentyl moiety of N-indanyl benzamides 2a and 2d led to identification of potent RORγt inverse agonists. Compound 5c with (S)-enantiomer was found having an IC50 of 153.7 nM in Fluorescence Resonance Energy Transfer (FRET) assay, and an IC50 of 47.1 nM in mouse Th17 cell differentiation assay, which represents a promising starting point for developing potent small mol. RORγt inverse agonists. Binding modes of the two enantiomers 5c and 5d in RORγt ligand binding domain were also discussed.

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

Recommanded Product: 65705-44-4. 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: 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.

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

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.Li, Yang; Xiao, Tao; Yu, Guang Yan; Liu, Dong Liang researched the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9 ).Computed Properties of C10H7F2N3O.They published the article 《Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-2-yl]sulfanyl}acetate》 about this compound( cas:86404-63-9 ) in Acta Crystallographica, Section E: Structure Reports Online. Keywords: ethyl fluoro oxotriazolyl thiochromen sulfanyl acetate ester crystal structure; mol structure ethyl fluorooxotriazolylthiochromensulfanyl acetate ester; hydrogen bond ethyl fluorooxotriazolylthiochromensulfanylacetate ester. We’ll tell you more about this compound (cas:86404-63-9).

In the title compound, C15H12FN3O3S2, the two six-membered rings are essentially coplanar, their mean planes making a dihedral angle of 1.1 (2)°. The carbonyl C, the two attached non-fused C atoms and the S atom deviate from the plane of the benzene ring by -0.046 (5), -0.017 (5), 0.000 (6), 0.026 (4) Å, resp. The angle between the mean planes of the triazole ring and the sulfur heterocycle is 53.3 (1)°. In the crystal, intermol. C-H…O hydrogen bonds link the mols. in a stacked arrangement along the a axis. Crystallog. data are given.

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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 Design, Synthesis, and Antifungal Activity of Novel Conformationally Restricted Triazole Derivatives, published in 2009-12-31, which mentions a compound: 86404-63-9, mainly applied to antifungal activity conformationally restricted triazole preparation; lanosterol demethylase Candida albicans conformationally restricted triazole preparation, Computed Properties of C10H7F2N3O.

A series of new triazole derivatives were designed and synthesized on the basis of the active site of lanosterol 14α-demethylase from Candida albicans (CACYP51). 2-(2,4-Difluorophenyl)-3-(methyl-(3-phenoxyalkyl)amino)-1-(1H-1,2,4-triazol-1-yl)propan-2-ols show excellent in-vitro activity against most of the tested pathogenic fungi. The MIC80 value of compound I against Candida albicans is 0.01 μM, which provides a good starting template for further structural optimization. The binding modes of the designed compounds were investigated by flexible mol. docking. The compounds interacted with CACYP51 through hydrophobic, van-der-Waals, and hydrogen-bonding interactions.

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

Fuss, Andreas; Koch, Volker published an article about the compound: 2-Bromo-5-chloropyridin-3-ol( cas:127561-70-0,SMILESS:OC1=CC(Cl)=CN=C1Br ).Related Products of 127561-70-0. 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:127561-70-0) through the article.

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

Formula: C7H7NO2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Discovery of quinolone derivatives as antimycobacterial agents. Author is Liu, Kun-Lin; Teng, Fei; Xiong, Lu; Li, Xiao; Gao, Chao; Yu, Luo-Ting.

In this report, a compound library was screened and identified compound I with antituberculosis activity and a minimal inhibitory concentration (MIC) against M. tuberculosis of 20μg mL-1. Structure optimization and the structure-activity relationship of 1 as the lead compound enabled the design and synthesis of a series of quinolone derivatives, e.g, II. These compounds were evaluated in vitro for anti-tubercular activity against the M. tuberculosis H37Rv strain. Among them, compounds III [n = 1; R = 3′,5′-dimethoxy-[1,1′-biphenyl], 4-(trifluoromethyl)phenyl, 6-(trifluoromethyl)pyridin-3-yl (IV)] exhibited MIC values in the range of 1.2-3μg mL-1 and showed excellent activity against the tested MDR-TB strain (MIC: 3, 2.9 and 0.9μg mL-1, resp.). All three compounds III were non-toxic toward A549 and Vero cells (>100 and >50μg mL-1, resp.). In addition, an antibacterial spectrum test carried out using compound (IV) showed that this compound specifically inhibits M. tuberculosis. These can serve as a new starting point for the development of anti-TB agents with therapeutic potential.

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

Tian, Jinlong; Sun, Nannan; Yu, Mingcheng; Gu, Xianfeng; Xie, Qiong; Shao, Liming; Liu, Jin; Liu, Li; Wang, Yonghui published the article 《Discovery of N-indanyl benzamides as potent RORγt inverse agonists》. Keywords: indanylbenzamide ROR gammat inverse agonist Th17 autoimmune disease drug; Autoimmune diseases; Binding modes; N-indanyl benzamides; RORγt inverse agonists; Th17 cells.They researched the compound: 6-Methylnicotinic acid( cas:3222-47-7 ).Application of 3222-47-7. 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:3222-47-7) here.

The retinoic acid receptor-related orphan receptor-gamma-t (RORγt) is a promising therapeutic target for treatment of Th17 cell-mediated autoimmune diseases. Based on a scaffold hopping/conformational restriction strategy, a series of N-indanyl benzamides as novel RORγt inverse agonists was discovered. Exploration of structure-activity relationship on the piperazine ring, benzoyl moiety and cyclopentyl moiety of N-indanyl benzamides 2a and 2d led to identification of potent RORγt inverse agonists. Compound 5c with (S)-enantiomer was found having an IC50 of 153.7 nM in Fluorescence Resonance Energy Transfer (FRET) assay, and an IC50 of 47.1 nM in mouse Th17 cell differentiation assay, which represents a promising starting point for developing potent small mol. RORγt inverse agonists. Binding modes of the two enantiomers 5c and 5d in RORγt ligand binding domain were also discussed.

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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: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9 ) is researched.Product Details of 86404-63-9.Wang, Yan; Damu, Guri L. V.; Lv, Jing-Song; Geng, Rong-Xia; Yang, Da-Cheng; Zhou, Cheng-He published the article 《Design, synthesis and evaluation of clinafloxacin triazole hybrids as a new type of antibacterial and antifungal agents》 about this compound( cas:86404-63-9 ) in Bioorganic & Medicinal Chemistry Letters. Keywords: clinafloxacin triazole hybrid preparation antibacterial antifungal. Let’s learn more about this compound (cas:86404-63-9).

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

Application of 188781-36-4. 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: 5-Chloro-6-methylpyrazine-2-carboxylic acid, is researched, Molecular C6H5ClN2O2, CAS is 188781-36-4, about Corrigendum: MPX-004 and MPX-007: new pharmacological tools to study the physiology of NMDA receptors containing the GluN2A subunit [Erratum to document cited in CA168:122429]. Author is The PLOS ONE Staff.

There is an error in affiliation 1 for authors Robert A. Volkmann, Christopher M. Fanger, David R. Anderson, Frank S. Menniti. Affiliation 1 should be: Mnemosyne Pharmaceuticals, Inc. (now Luc Therapeutics) 400 Technol. Square, Cambridge, MA 02139, United States of America

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