Category: Triazoles

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 (Z)-1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone oxime, published in 2011-12-31, which mentions a compound: 86404-63-9, Name is 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, Molecular C10H7F2N3O, Quality Control of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone.

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.

I hope my short article helps more people learn about 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. Apart from the compound(86404-63-9), you can read my other articles to know other related compounds.

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

Recommanded Product: 86404-63-9. 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 New azoles with potent antifungal activity: Design, synthesis and molecular docking. Author is Che, Xiaoying; Sheng, Chunquan; Wang, Wenya; Cao, Yongbing; Xu, Yulan; Ji, Haitao; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian.

In response to the urgent need for novel antifungal agents with improved activity and broader spectrum, computer modeling was used for rational design of novel antifungal azoles. On the basis of the active site of lanosterol 14α-demethylase from Candida albicans (CACYP51), a series of new azoles with substituted-phenoxypropyl piperazine side chains were rationally designed and synthesized. In vitro antifungal activity assay indicates that the new azoles show good activity against most of the tested pathogenic fungi. Interestingly, the designed compounds are also active against an azole-resistant clin. strain. Compared to fluconazole and itraconazole, several compounds (such as I) show higher antifungal activity and a broader spectrum, which are promising leads for the development of novel antifungal agents.

I hope my short article helps more people learn about this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)Recommanded Product: 86404-63-9. Apart from the compound(86404-63-9), you can read my other articles to know other related compounds.

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

Ferretti, R.; Gallinella, B.; La Torre, F.; Zanitti, L. 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 ).Formula: C10H7F2N3O. 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.

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.

I hope my short article helps more people learn about this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)Formula: C10H7F2N3O. Apart from the compound(86404-63-9), you can read my other articles to know other related compounds.

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 (Z)-1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one, published in 2012-04-30, which mentions a compound: 86404-63-9, Name is 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, Molecular C10H7F2N3O, Recommanded Product: 86404-63-9.

In the title mol., C17H10F3N3O, the C=C bond connecting the triazole ring and 4-fluorophenyl groups adopts a Z conformation. The triazole ring forms dihedral angles of 15.3(1) and 63.5(1)°, with the 2,4-difluoro-substituted and 4-fluoro-substituted benzene rings, resp. The dihedral angle between the two benzene rings is 51.8(1)°. Crystallog. data and at. coordinates are given.

I hope my short article helps more people learn about this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)Recommanded Product: 86404-63-9. Apart from the compound(86404-63-9), you can read my other articles to know other related compounds.

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, Research Support, Non-U.S. Gov’t, Journal of Medicinal Chemistry called Design, Synthesis, Evaluation, and Structural Studies of C2-Symmetric Small Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction, Author is Basu, Subhadwip; Yang, Jeffrey; Xu, Bin; Magiera-Mularz, Katarzyna; Skalniak, Lukasz; Musielak, Bogdan; Kholodovych, Vladyslav; Holak, Tad A.; Hu, Longqin, which mentions a compound: 562074-59-3, SMILESS is N#CC1=CN=CC(CCl)=C1, Molecular C7H5ClN2, Reference of 5-(Chloromethyl)nicotinonitrile.

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.

I hope my short article helps more people learn about this compound(5-(Chloromethyl)nicotinonitrile)Reference of 5-(Chloromethyl)nicotinonitrile. Apart from the compound(562074-59-3), you can read my other articles to know other related compounds.

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

Name: 6-Methylnicotinic acid. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Versatile {Cp2Ti} Grafted Hetero-Polyoxotungstate Clusters: Synthesis, Crystal Structure, and Photocurrent Properties. Author is Singh, Vikram; Liu, Shuang; Ma, Pengtao; Drew, Michael G. B.; Wang, Jingping; Niu, Jingyang.

Polyoxotungstate supported titanocene {Cp2Ti}2+ clusters H6{K8(Cp2Ti)2P4W24O88(PO4)2}·14H2O (1), H6[Na2P4W14O58(Cp2Ti)2]·12H2O (2), and H2[K6{Cp2Ti}{PW9O33(WO2)}2{NC5H3(COOK)2}(NC5H3(CH3)COOK)·22H2O] (3) have been synthesized, and their single crystal x-ray structures have revealed unprecedented and intriguing structural features. The synthesized compounds have been characterized by various spectroscopic techniques including UV-vis, cyclic voltammogram, NMR, ESI-MS, and inductive coupled plasma spectroscopy (ICP) in solution and also by IR, TGA, and diffuse reflectance in the solid state. Clusters 1 and 2 are rare examples of lacunary POM supported titanocene clusters obtained by incorporating various phosphorus heteroatoms to form elusive phosphotungstate assemblies, whereas 3 is an unprecedented organometallic as well as heteroleptic pyridyl functionalized POM. Clusters 1-3 show transient photocurrent ON/OFF behavior upon UV-light irradiation and also exhibit characteristic TiIV/III intravalence electron transfer. This behavior is also established by their cyclic voltammograms in mixed phosphate buffers (Na2HPO4/NaH2PO4) which show the evidence of POM supported {Cp2Ti}2+/+ species in their redox solution Furthermore, ESR line broadening is also observed in these clusters at room temperature, a fact which also confirms the formation of partially reduced/oxidized {Cp2Ti}2+/+ species leading to TiIV/III intravalence electron transfers within all three clusters. The {Cp2Ti}2+ decorated polyoxometalate cluster 3 shows improved transient photocurrent behavior which may be due to the presence of pyridyl carboxyl ions which provide better surface contact for the cluster mol. through the carboxylate moiety to the ITO electrode.

I hope my short article helps more people learn about this compound(6-Methylnicotinic acid)Name: 6-Methylnicotinic acid. Apart from the compound(3222-47-7), you can read my other articles to know other related compounds.

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

SDS of cas: 86404-63-9. 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 Particle beam-mass spectrometric analysis of difluorophenyl triazole compounds using normal phase-HPLC. Author is Creaser, Colin S.; Stygall, James W.; Bowen, David V.; Pullen, Frank S..

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.

I hope my short article helps more people learn about this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)SDS of cas: 86404-63-9. Apart from the compound(86404-63-9), you can read my other articles to know other related compounds.

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 Chiral Cobalt(III) Tris(1,2-diamine) Catalysts That Incorporate Nitrogenous Base Containing Anions for the Bifunctional Activation of Nucleophiles and Electrophiles in Enantioselective Addition Reactions, published in 2021-07-02, which mentions a compound: 3222-47-7, mainly applied to chiral diamine cobalt complex preparation; nitroolefin dimethyl malonate cobalt complex catalyst enantioselective Michael addition; ditertiarybutyl azodicarboxylate dicarbonyl compound cobalt catalyst enantioselective Michael addition; bistertiarybutoxycarbonyl hydrazino dicarbonyl compound preparation, Product Details of 3222-47-7.

Here, The lipophilic diastereomeric cobalt complexes Λ or Δ-[Co((S,S)-dpen)3]3+ 2Cl-BArf- (Λ or Δ-(S,S)-23+ 2Cl-BArf-; dpen/BArf- = 1,2-diphenylethylenediamine/B(3,5-C6H3(CF3)2)4-) ,salts of nicotinates, isonicotinates, related sulfonates, and N,N-dimethylaminobenzoate were applied addition reactions. The 6-chloronicotinate salt gaves slower rates and lower ee values, and the 6-aminonicotinate salt gave faster rates and higher ee values. The 6-Me, 2-methoxy, and unsubstituted analogs afforded intermediate results. The 6-aminonicotinate catalyst was applied to additions of di-Me malonate to aryl-substituted nitroolefins and additions of 1,3-dicarbonyl compounds to di-t-Bu azodicarboxylate, with average yields/ee values of 90%/85% and 94%/77%, resp. The authors were unaware of other ionic catalysts for which Bronsted bases was productively incorporated into the anions, which were seldom if ever purposefully functionalized in any manner.

If you want to learn more about this compound(6-Methylnicotinic acid)Product Details of 3222-47-7, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3222-47-7).

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

HPLC of Formula: 562074-59-3. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-(Chloromethyl)nicotinonitrile, is researched, Molecular C7H5ClN2, CAS is 562074-59-3, about Design, Synthesis, and Biological Evaluation of Linear Aliphatic Amine-Linked Triaryl Derivatives as Potent Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction with Promising Antitumor Effects In Vivo. Author is Guo, Jialin; Luo, Longlong; Wang, Zhihong; Hu, Naijing; Wang, Wei; Xie, Fei; Liang, Erguang; Yan, Xinlin; Xiao, Junhai; Li, Song.

A series of novel linear aliphatic amine-linked triaryl derivatives as inhibitors of PD-1/PD-L1 were designed, synthesized, and evaluated in vitro and in vivo. In this chem. series, compound I showed the most potent inhibitory activity and binding affinity with hPD-L1, with an IC50 value of 12 nM and a KD value of 16.2 pM, showing a binding potency approx. 2000-fold that of hPD-1. Compound I could bind with hPD-L1 on the cellular surface and competitively block the interaction of hPD-1 with hPD-L1. In a T cell function assay, I restored the T cell function, leading to increased IFN-γ secretion. Moreover, in a humanized mouse model, compound I significantly inhibited tumor growth without obvious toxicity and showed moderate PK properties after i.v. injection. These results indicated that I is a promising lead for further development of small-mol. PD-1/PD-L1 inhibitors for cancer therapy.

If you want to learn more about this compound(5-(Chloromethyl)nicotinonitrile)HPLC of Formula: 562074-59-3, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(562074-59-3).

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

Application In Synthesis of 6-Methylnicotinic acid. 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 Generating Multibillion Chemical Space of Readily Accessible Screening Compounds. Author is Grygorenko, Oleksandr O.; Radchenko, Dmytro S.; Dziuba, Igor; Chuprina, Alexander; Gubina, Kateryna E.; Moroz, Yurii S..

An approach to the generation of ultra-large chem. libraries of readily accessible (‘REAL’) compounds is described. The strategy is based on the use of two- or three-step three-component reaction sequences and available starting materials with pre-validated chem. reactivity. After the preliminary parallel experiments, the methods with at least ~80% synthesis success rate (such as acylation – deprotection – acylation of monoprotected diamines e.g., 1-boc-amino-butyl-3-amine or amide formation e.g., N-(9-acetyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide – click reaction with functionalized azides e.g., 3-(azidomethyl)-piperidine) can be selected and used to generate the target chem. space. It is shown that by using only on the two aforementioned reaction sequences, a nearly 29-billion compound library is easily obtained. According to the predicted physico-chem. descriptor values, the generated chem. space contains large fractions of both drug-like and ‘beyond rule-of-five’ members, whereas the strictest lead-likeness criteria (the so-called Churcher’s rules) are met by the lesser part, which still exceeds 22 million.

If you want to learn more about this compound(6-Methylnicotinic acid)Application In Synthesis of 6-Methylnicotinic acid, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3222-47-7).

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