Month: April 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, Article, Published Erratum, PLoS One called 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, which mentions a compound: 188781-36-4, SMILESS is O=C(C1=NC(C)=C(Cl)N=C1)O, Molecular C6H5ClN2O2, Reference of 5-Chloro-6-methylpyrazine-2-carboxylic acid.

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

The article 《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]》 also mentions many details about this compound(188781-36-4)Reference of 5-Chloro-6-methylpyrazine-2-carboxylic acid, you can pay attention to it, because details determine success or failure

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

Pore, Vandana S.; Agalave, Sandip G.; Singh, Pratiksha; Shukla, Praveen K.; Kumar, Vikash; Siddiqi, Mohammad I. published the article 《Design and synthesis of new fluconazole analogues》. Keywords: fluconazole analog triazole preparation antifungal; ketone propargyl bromide alkyne formaldehyde sodium azide mesylation; click reaction.They researched the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9 ).Safety 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.

We have synthesized new fluconazole analogs containing two different 1,2,3-triazole units in the side chain. The synthesis of new amide analogs using a variety of acids is also described. All the compounds showed very good antifungal activity. A hemolysis study of the most active compounds I and II showed that both compounds did not cause any hemolysis at the dilutions tested. These compounds did not exhibit any toxicity to L929 cells at MIC and lower concentrations In the docking study, the overall binding mode of I and II appeared to be reasonable and provided a good insight into the structural basis of inhibition of Candida albicans Cyp51 by these compounds

The article 《Design and synthesis of new fluconazole analogues》 also mentions many details about this compound(86404-63-9)Safety of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, you can pay attention to it or contacet with the author([email protected]) to get more information.

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

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 86404-63-9, is researched, SMILESS is FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1, Molecular C10H7F2N3OJournal, Chromatographia called 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., the main research direction is voriconazole resolution HPLC; enantiomer separation voriconazole HPLC.HPLC of Formula: 86404-63-9.

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

Roffey, S. J.; Cole, S.; Comby, P.; Gibson, D.; Jezequel, S. G.; Nedderman, A. N. R.; Smith, D. A.; Walker, D. K.; Wood, N. 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 ).Computed Properties of 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.

Voriconazole is a new triazole antifungal agent with potent, wide-spectrum activity. Its pharmacokinetics and metabolism have been studied in mouse, rat, rabbit, dog, guinea pig, and humans after single and multiple administration by both oral and i.v. routes. Absorption of voriconazole is essentially complete in all species. The elimination of voriconazole is characterized by non-linear pharmacokinetics in all species. Consequently, pharmacokinetic parameters are dependent upon dose, and a superproportional increase in area under the curve is seen with increasing dose in rat and dog toxicol. studies. Following multiple administration, there is a decrease in systemic exposure. This is most pronounced in mouse and rat, less so in dog, and not observed in guinea pig or rabbit. Repeat-dose toxicol. studies in mouse, rat, and dog have demonstrated that induction of cytochrome P 450 by voriconazole (autoinduction of metabolism) is responsible for the decreased exposure in these species. Autoinduction of metabolism is not observed in humans, and plasma steady-state concentrations remain constant with time. Voriconazole is extensively metabolized in all species. The major pathways in humans involve fluoropyrimidine N-oxidation, fluoropyrimidine hydroxylation, and Me hydroxylation. Also, N-oxidation facilitates cleavage of the mol., resulting in loss of the fluoropyrimidine moiety and subsequent conjugation with glucuronic acid. Major pathways are represented in animal species. The major circulating metabolite in rat, dog, and human is the N-oxide of voriconazole. It is not thought to contribute to efficacy since it is at least 100-fold less potent than voriconazole against fungal pathogens in vitro.

The article 《The disposition of voriconazole in mouse, rat, rabbit, guinea pig, dog, and human》 also mentions many details about this compound(86404-63-9)Computed Properties of C10H7F2N3O, you can pay attention to it or contacet with the author([email protected]) to get more information.

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

SDS of cas: 86404-63-9. 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: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Synthesis and structure-activity relationships of a novel antifungal agent, ICI 195,739.

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.

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

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-2-yl]sulfanyl}acetate》. Authors are Li, Yang; Xiao, Tao; Yu, Guang Yan; Liu, Dong Liang.The article about the compound:1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanonecas:86404-63-9,SMILESS:FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1).Related Products of 86404-63-9. Through the article, more information about this compound (cas:86404-63-9) is conveyed.

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.

The article 《Ethyl 2-{[7-fluoro-4-oxo-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-2-yl]sulfanyl}acetate》 also mentions many details about this compound(86404-63-9)Related Products of 86404-63-9, you can pay attention to it, because details determine success or failure

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

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 3222-47-7, is researched, SMILESS is O=C(O)C1=CN=C(C)C=C1, Molecular C7H7NO2Preprint, ChemRxiv called Catalytic enantioselective pyridine N-oxidation, Author is Hsieh, Sheng-Ying; Tang, Yu; Crotti, Simone; Stone, Elizabeth A.; Miller, Scott J., the main research direction is catalytic enantioselective pyridine nitrogen oxidation.Electric Literature of C7H7NO2.

The catalytic, enantioselective N-oxidation of substituted pyridines is described. The approach is predicated on a biomol.-inspired catalytic cycle wherein high levels of asym. induction are provided by aspartic acid-containing peptides as the aspartyl side chain shuttles between free acid and peracid forms. Desymmetrizations of bis(pyridine) substrates bearing a remote pro-stereogenic center are demonstrated, presenting a new entry into chiral pyridine frameworks in a heterocycle-rich mol. environment. Representative functionalizations of the enantioenriched pyridine N-oxides further document the utility of this approach. Demonstration of the asym. N-oxidation in two venerable drug-like scaffolds, Loratadine and Varenicline, show the likely generality of the method for highly variable and distinct chiral environments, while also revealing that the approach is applicable to both pyridines and 1,4-pyrazines.

The article 《Catalytic enantioselective pyridine N-oxidation》 also mentions many details about this compound(3222-47-7)Electric Literature of C7H7NO2, you can pay attention to it, because details determine success or failure

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

Related Products of 86404-63-9. 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: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Novel antifungal 2-aryl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol derivatives with high activity against Aspergillus fumigatus. Author is Dickinson, Roger P.; Bell, Andrew S.; Hitchcock, Christopher A.; Narayanaswami, Subramaniyan; Ray, Stephen J.; Richardson, Kenneth; Troke, Peter F..

Replacement of one triazole ring of fluconazole with 4-pyridinyl leads to an increase in activity against Aspergillus fumigatus. Introduction of an α-Me group has a marked addnl. beneficial effect. Investigation of pyridinyl and pyrimidinyl analogs resulted in the identification of compound I (UK-109,496, voriconazole) which has excellent potency against a broad range of fungal pathogens including A. fumigatus and Candida krusei.

The article 《Novel antifungal 2-aryl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol derivatives with high activity against Aspergillus fumigatus》 also mentions many details about this compound(86404-63-9)Related Products of 86404-63-9, you can pay attention to it, because details determine success or failure

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

Electric Literature of C10H9BrN2S. 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 Intramolecular Diaza-Diels-Alder Protocol: A New Diastereoselective and Modular One-Step Synthesis of Constrained Polycyclic Frameworks. Author is Srinivasulu, Vunnam; Reddy, Amarnath; Mazitschek, Ralph; Lukens, Amanda K.; Wirth, Dyann F.; Li, Liang; Naumov, Pance; O’Connor, Matthew John; Al-Tel, Taleb H..

Phenotype-based screening of diverse compound collections generated by privileged substructure-based diversity-oriented synthesis (pDOS) is considered one of the prominent approaches in the discovery of novel drug leads. However, one key challenge that remains is the development of efficient and modular synthetic routes toward the facile access of privileged small-mol. libraries with skeletal and stereochem. complexity and drug-like properties. In this regard, a novel and diverse one-pot procedure for the diastereoselective synthesis of privileged polycyclic benzopyrans and benzoxepines is described herein. These unexplored chemotypes were accessed by utilizing an acid-mediated diaza-Diels-Alder reaction of 2-allyloxy- and/or homoallyloxy benzaldehyde with 2-aminoazine building blocks. Profiling of representative analogs against blood-stage Plasmodium falciparum parasites identified three lead candidates with low micromolar antimalarial activity.

The article 《Intramolecular Diaza-Diels-Alder Protocol: A New Diastereoselective and Modular One-Step Synthesis of Constrained Polycyclic Frameworks》 also mentions many details about this compound(65705-44-4)Electric Literature of C10H9BrN2S, you can pay attention to it, because details determine success or failure

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

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 86404-63-9, is researched, SMILESS is FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1, Molecular C10H7F2N3OJournal, Article, Research Support, Non-U.S. Gov’t, ChemMedChem called 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, the main research direction is lanosterol demethylase homol modeling; triazole preparation antifungal activity.Computed Properties of C10H7F2N3O.

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.

The article 《Improved model of lanosterol 14α-demethylase by ligand-supported homology modeling: validation by virtual screening and azole optimization》 also mentions many details about this compound(86404-63-9)Computed Properties of C10H7F2N3O, you can pay attention to it, because details determine success or failure

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