Day: April 6, 2022

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 Synthesis of novel substituted tetrazoles having antifungal activity, the main research direction is triazolylmethyl styrene oxide arylpiperazinylethyl tetrazole condensation; substituted tetrazole preparation antifungal.Recommanded Product: 86404-63-9.

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

HPLC of Formula: 3222-47-7. 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: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Rhodium-catalyzed ortho-Arylation of (Hetero)aromatic Acids. Author is Weber, Philip; Rank, Christian K.; Yalcinkaya, Enis; Dyga, Marco; van Lingen, Tim; Schmid, Rochus; Patureau, Frederic W.; Goossen, Lukas J..

Rhodium acetate effectively promotes the carboxylate-directed ortho-arylation of (hetero)aromatic carboxylic acids ArCOOH (Ar = 2-methylphenyl, 4-methoxythiophen-3-yl, 2-fluoropyridin-3-yl, etc.) with aryl bromides Ar1Br (Ar1 = 4-methylphenyl, 2-naphthyl, 2-methylpyridin-6-yl, etc.) yielded functionalized hetero/aryl carboxylic acids, e.g., I (X = H, Me) and its Me carboxylates. The main advantage of this phosphine-free, redox-neutral method arises from its efficiency in assembling biol. meaningful electron-rich arylpyridines, which are problematic substrates in known C-H arylations using Pd, Ru, and Ir catalysts.

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

Wang, Wenya; Sheng, Chunquan; Che, Xiaoying; Ji, Haitao; Cao, Yongbing; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian published the article 《Discovery of highly potent novel antifungal azoles by structure-based rational design》. Keywords: azole preparation lanosterol demethylase inhibitor antifungal SAR.They researched the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9 ).Recommanded Product: 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 active site of lanosterol 14α-demethylase from Candida albicans (CACYP51), a series of new azoles were designed and synthesized. All the new azoles show excellent in vitro activity against most of the tested pathogenic fungi, which represent a class of promising leads for the development of novel antifungal agents. The MIC80 value of compounds 8c, 8i and 8n against C. albicans is 0.001 μg/mL, indicating that these compounds are more potent than fluconazole, itraconazole and voriconazole. Flexible mol. docking was used to analyze the structure-activity relationships (SARs) of the compounds The designed compounds interact 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

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.Safety of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone.Lebouvier, Nicolas; Giraud, Francis; Corbin, Typhanie; Na, Young Min; Le Baut, Guillaume; Marchand, Pascal; Le Borgne, Marc published the article 《Efficient microwave-assisted synthesis of 1-(1H-indol-1-yl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-2-ols as antifungal agents》 about this compound( cas:86404-63-9 ) in Tetrahedron Letters. Keywords: indolyl triazolylpropanol preparation; chloroacetophenone triazole substitution microwave irradiation; triazolylacetophenone preparation epoxidation microwave irradiation; microwave irradiation substitution Corey Chaykovsky epoxidation mediator; aryl triazolylmethyl oxirane preparation indole ring opening. Let’s learn more about this compound (cas:86404-63-9).

Conazole antifungals, in the series of triazole alcs., e.g., I, have been synthesized by ring opening of corresponding oxiranes, e.g., II. These oxiranes were prepared in high yields by Corey-Chaykovsky reaction under microwave irradiation

There is still a lot of research devoted to this compound(SMILES：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, and with the development of science, more effects of this compound(86404-63-9) can be discovered.

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

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 6-Methylnicotinic acid(SMILESS: O=C(O)C1=CN=C(C)C=C1,cas:3222-47-7) is researched.Application of 2923-28-6. The article 《Generating Multibillion Chemical Space of Readily Accessible Screening Compounds》 in relation to this compound, is published in iScience. Let’s take a look at the latest research on this compound (cas:3222-47-7).

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.

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

Che, Xiaoying; Sheng, Chunquan; Wang, Wenya; Cao, Yongbing; Xu, Yulan; Ji, Haitao; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian published the article 《New azoles with potent antifungal activity: Design, synthesis and molecular docking》. Keywords: azole preparation antifungal activity; triazole preparation antifungal activity.They researched the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9 ).Quality Control 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.

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.

There is still a lot of research devoted to this compound(SMILES：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, and with the development of science, more effects of this compound(86404-63-9) can be discovered.

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

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about The small molecule GAT1508 activates brain-specific GIRK1/2 channel heteromers and facilitates conditioned fear extinction in rodents.Related Products of 3222-47-7.

G-protein- gated inwardly-rectifying K+ (GIRK) channels are targets of Gi/o-protein-signaling systems that inhibit cell excitability. GIRK channels exist as homotetramers (GIRK2 and GIRK4) or heterotetramers with nonfunctional homomeric subunits (GIRK1 and GIRK3). Although they have been implicated in multiple conditions, the lack of selective GIRK drugs that discriminate among the different GIRK channel subtypes has hampered investigations into their precise physiol. relevance and therapeutic potential. Here, we report on a highly-specific, potent, and efficacious activator of brain GIRK1/2 channels. Using a chem. screen and electrophysiol. assays, we found that this activator, the bromothiophene-substituted small mol. GAT1508, is specific for brain-expressed GIRK1/2 channels rather than for cardiac GIRK1/4 channels. Computational models predicted a GAT1508- binding site validated by exptl. mutagenesis experiments, providing insights into how urea-based compounds engage distant GIRK1 residues required for channel activation. Furthermore, we provide computational and exptl. evidence that GAT1508 is an allosteric modulator of channel-phosphatidylinositol 4,5-bisphosphate interactions. Through brain-slice electrophysiol., we show that subthreshold GAT1508 concentrations directly stimulate GIRK currents in the basolateral amygdala (BLA) and potentiate baclofen-induced currents. Of note, GAT1508 effectively extinguished conditioned fear in rodents and lacked cardiac and behavioral side effects, suggesting its potential for use in pharmacotherapy for post-traumatic stress disorder. In summary, our findings indicate that the small mol. GAT1508 has high specificity for brain GIRK1/2 channel subunits, directly or allosterically activates GIRK1/2 channels in the BLA, and facilitates fear extinction in a rodent model.

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

Recommanded Product: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single 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 Discovery of highly potent triazole antifungal derivatives by heterocycle-benzene bioisosteric replacement. Author is Jiang, Zhigan; Wang, Yan; Wang, Wenya; Wang, Shengzheng; Xu, Bo; Fan, Guorong; Dong, Guoqiang; Liu, Yang; Yao, Jianzhong; Miao, Zhenyuan; Zhang, Wannian; Sheng, Chunquan.

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.

There is still a lot of research devoted to this compound(SMILES：FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1)Recommanded Product: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, and with the development of science, more effects of this compound(86404-63-9) can be discovered.

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

Synthetic Route of C7H7NO2. 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: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Structure-activity relationship studies of tolfenpyrad reveal subnanomolar inhibitors of Haemonchus contortus development.

Recently, we have discovered that the registered pesticide, tolfenpyrad, unexpectedly and potently inhibits the development of the L4 larval stage of the parasitic nematode Haemonchus contortus with an IC50 value of 0.03 μM while displaying good selectivity, with an IC50 of 37.9 μM for cytotoxicity. As a promising mol. template for medicinal chem. optimization, we undertook anthelmintic structure-activity relationships for this chem. Modifications of the left-hand side (LHS), right-hand side (RHS), and middle section of the scaffold were explored to produce a set of 57 analogs. Analogs I, II, and III were shown to be the most potent compounds of the series, with IC50 values at a subnanomolar level of potency against the chemotherapeutically relevant fourth larval (L4) stage of H. contortus. Selected compounds from the series also showed promising activity against a panel of other different parasitic nematodes, such as hookworms and whipworms.

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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: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Development and validation of a liquid chromatographic method for the stability study of a pharmaceutical formulation containing voriconazole using cellulose tris(4-chloro-3-methylphenylcarbamate) as chiral selector and polar organic mobile phases, the main research direction is liquid chromatog voriconazole cellulose chloromethylphenylcarbamate chiral selector; Chiral stability; Chiral stationary phase; Liquid chromatography; Validation; Voriconazole.Safety of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone.

The ophthalmic solution of voriconazole, i.e. (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol, made from an injection formulation which also contains sulfobutylether-β-cyclodextrin sodium salt as an excipient (Vfend), is used for the treatment of fungal keratitis. A liquid chromatog. (LC) method using polar organic mobile phase and cellulose tris(4-chloro-3-methylphenylcarbamate) coated on silica as chiral stationary phase was successfully developed to evaluate the chiral stability of the ophthalmic solution The percentage of methanol (MeOH) in the mobile phase containing acetonitrile (ACN) as the main solvent significantly influenced the retention and resolution of voriconazole and its enantiomer ((2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol). The optimized mobile phase consisted of ACN/MeOH/diethylamine/trifluoroacetic acid (80/20/0.1/0.1; volume/volume/volume/volume). The method was found to be selective not only regarding the enantiomer of voriconazole but also regarding the specified impurities described in the monograph from the European Pharmacopoeia. The LC method was then fully validated applying the strategy based on total measurement error and accuracy profiles. Under the selected conditions, the determination of 0.1% of voriconazole enantiomer could be performed. Finally, a stability study of the ophthalmic solution was conducted using the validated LC method.

There is still a lot of research devoted to this compound(SMILES：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, and with the development of science, more effects of this compound(86404-63-9) can be discovered.

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