Tag: M.W=300-350

Wang, Wenya published the artcileDesign, Synthesis, and Antifungal Activity of Novel Conformationally Restricted Triazole Derivatives, Formula: C12H13F2N3O4S, the publication is Archiv der Pharmazie (Weinheim, Germany) (2009), 342(12), 732-739, database is CAplus and MEDLINE.

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.

Archiv der Pharmazie (Weinheim, Germany) published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C8H7ClO3, Formula: C12H13F2N3O4S.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Che, Xiaoying published the artcileNew azoles with potent antifungal activity: Design, synthesis and molecular docking, Formula: C12H13F2N3O4S, the publication is European Journal of Medicinal Chemistry (2009), 44(10), 4218-4226, database is CAplus and MEDLINE.

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.

European Journal of Medicinal Chemistry published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C12H13F2N3O4S, Formula: C12H13F2N3O4S.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Blokhina, Svetlana V. published the artcileSynthesis and antifungal activity of new hybrids thiazolo[4,5-d]pyrimidines with (1H-1,2,4)triazole, SDS of cas: 86386-77-8, the publication is Bioorganic & Medicinal Chemistry Letters (2021), 127944, database is CAplus and MEDLINE.

Fluconazole analogs substituted with thioxothiazolopyrimidinone moieties such as I were prepared as antifungal agents. The solubility and lipophilicity of the fluconazole analogs was determined Compounds with a methylpiperazinylalkyl linker exhibited significant antifungal activities against filamentous and yeast fungi.

Bioorganic & Medicinal Chemistry Letters published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C12H13F2N3O4S, SDS of cas: 86386-77-8.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Wang, Wenya published the artcileDiscovery of highly potent novel antifungal azoles by structure-based rational design, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is Bioorganic & Medicinal Chemistry Letters (2009), 19(20), 5965-5969, database is CAplus and MEDLINE.

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.

Bioorganic & Medicinal Chemistry Letters published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C2H5BF3K, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Bauer, Anna published the artcileIdentification and characterization of pesticide metabolites in Brassica species by liquid chromatography travelling wave ion mobility quadrupole time-of-flight mass spectrometry (UPLC-TWIMS-QTOF-MS), Application of 1-(2-Chloro-4-(4-chlorophenoxy)phenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one, the publication is Food Chemistry (2018), 292-303, database is CAplus and MEDLINE.

A new mass spectrometric method for evaluating metabolite formation of the pesticides thiacloprid, azoxystrobin, and difenoconazole was developed for the Brassica species pak choi and broccoli. Both, distribution and transformation kinetics of the active compounds and their metabolites were analyzed by UPLC-TWIMS-QTOF-MS. Addnl., HR-MS anal. and structure elucidation tools such as diagnostic ions, isotopic matches, and collision cross sections were applied for metabolites identification. Following the application of two plant protection products (containing the above-mentioned active compounds) in a greenhouse study plant material was cryo-milled and extracted with water/methanol. The residual levels of active compounds were identified at certain timepoints during pre-harvest intervals and in the final products. Different phase I and phase II metabolites of the pesticides were identified in different plant organs such as leaves, stems, (broccoli) heads, and roots. Three individual degradation pathways and distribution profiles are suggested including eight thiacloprid, eleven azoxystrobin and three difenoconazole metabolites.

Food Chemistry published new progress about 136815-80-0. 136815-80-0 belongs to triazoles, auxiliary class Triazoles, name is 1-(2-Chloro-4-(4-chlorophenoxy)phenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one, and the molecular formula is C16H11Cl2N3O2, Application of 1-(2-Chloro-4-(4-chlorophenoxy)phenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Han, Guiyan published the artcileDiscovery of Novel Fungal Lanosterol 14α-Demethylase (CYP51)/Histone Deacetylase Dual Inhibitors to Treat Azole-Resistant Candidiasis, Application In Synthesis of 86386-77-8, the publication is Journal of Medicinal Chemistry (2020), 63(10), 5341-5359, database is CAplus and MEDLINE.

Invasive fungal infections (particularly candidiasis) are emerging as severe infectious diseases worldwide. Because of serious antifungal drug resistance, therapeutic efficacy of the current treatment for candidiasis is limited and associated with high mortality. However, it is highly challenging to develop novel strategies and effective therapeutic agents to combat drug resistance. Herein, the first generation of lanosterol 14α-demethylase (CYP51)-histone deacetylase (HDAC) dual inhibitors was designed, which exhibited potent antifungal activity against azole-resistant clin. isolates. In particular, compounds 12h(II) and 15j(I) were highly active both in vitro and in vivo to treat azole-resistant candidiasis. Antifungal mechanism studies revealed that they acted by blocking ergosterol biosynthesis and HDAC catalytic activity in fungus, suppressing the function of efflux pump, yeast-to-hypha morphol. transition, and biofilm formation. Therefore, CYP51-HDAC dual inhibitors represent a promising strategy to develop novel antifungal agents against azole-resistant candidiasis.

Journal of Medicinal Chemistry published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C12H13F2N3O4S, Application In Synthesis of 86386-77-8.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Liang, Shuang published the artcileSynthesis and antifungal activity of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-(4-substituted acyl piperazin-1-yl)-2-propanols, Quality Control of 86386-77-8, the publication is Journal of Medical Colleges of PLA (2004), 19(3), 142-145, database is CAplus.

The objective was to study the effect of fluconazole derivatives from a side chain containing 4-substituted acyl piperazine-1-yl on antifungal activity. Fourteen title compounds, e.g., I, were synthesized and confirmed by the elementary anal., ¹HNMR and IR spectra. Five deep fungal strains and 3 shallow fungal strains were chosen as the exptl. strains. Min. inhibitory concentrations(MICs) of all title compounds were determined by the method recommended by the National Committee for Clin. Laboratory Standards (NCCLS) using RPMI 1640 test medium. Among the 14 title compounds, 12 were first reported. The results of preliminary antifungal test showed that all the title compounds exhibited potent antifungal activities to a certain extent. The activity of 4 compounds were more than 4 times as high as that of fluconazole and equal to that of ketoconazole against Candida albicans in vitro (MIC₈₀ value ≤ 0.125 μg/mL). Introduction of a side chain containing 4-substituted acyl piperazine-1-yl into the main part of fluconazole has important influence on antifungal activities of title compounds

Journal of Medical Colleges of PLA published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C12H13F2N3O4S, Quality Control of 86386-77-8.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Sun, Qingyan published the artcileSynthesis and antifungal activity of 1-(1H-1,2,4-triazolyl)-2-(2′,4′-difluorophenyl)-3-substituted with side chain containing sulfur atom-2-propanols, Category: triazoles, the publication is Dier Junyi Daxue Xuebao (2001), 22(9), 871-874, database is CAplus.

Fifteen title compounds 3-R-1-(1H-1,2,4-triazolyl)-2-(2,4- difluorophenyl)-2-propanol (I; R = side chain containing sulfur) were synthesized and characterized by elemental anal., ¹HNMR, and IR spectra. MICs of all title compounds were determined by the method recommended by the National committee of clin. laboratory standards (NCCLS) using RPMI1640 test medium. The results of preliminary antifungal test showed that all title compounds exhibited potent antifungal activities to a certain extent.

Dier Junyi Daxue Xuebao published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C8H11NO, Category: triazoles.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Sun, Qingyan published the artcileSynthesis and antifungal activity of triazole derivatives, SDS of cas: 86386-77-8, the publication is Zhongguo Yaowu Huaxue Zazhi (2004), 14(1), 14-18, database is CAplus.

The effect of the triazole derivatives from introducing a side chain containing nitrogen on the antifungal activity was studied. Twenty-two title compounds were synthesized and confirmed by elementary anal., ¹H-NMR and IR spectra. MIC₈₀ of all the title compounds were determined using the RPM1640 test medium. The results of the preliminary antifungal test showed that all the title compounds exhibited potent antifungal activities. One compound showed equal or more potent activities when compared with ketoconazole and was markedly superior to fluconazole. Proper lipid/water distribution coefficient might be important to the antifungal activities of the title compounds in vitro.

Zhongguo Yaowu Huaxue Zazhi published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C4H4N2O2, SDS of cas: 86386-77-8.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Liang, Shuang published the artcileSynthesis and antifungal activity of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-[(4-substituted)-1-piperazinyl]-2-propanols, Application of 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is Zhongguo Yaowu Huaxue Zazhi (2004), 14(2), 71-75, database is CAplus.

The effect of the side chain in (4-substituted)-1-piperazinyl on the antifungal activity of fluconazole compounds was studied. Thirteen title compounds were synthesized and confirmed by the elementary anal., ¹H-NMR and IR spectra. The MICs of all the title compounds were determined by the method recommended by the National Committee for Clin. Laboratory Standards (NCCLS) using the RPMI1640 test medium. The results of the preliminary antifungal test showed that all the title compounds exhibited potent antifungal activities. The activities of the eight compounds thus prepared were more than 4 times as high as that of fluconazole and equal to that of ketoconazole against Candida albicans in vitro. The lipid/water distribution coefficient and stereochem. have important influence on the antifungal activities of the title compounds

Zhongguo Yaowu Huaxue Zazhi published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C12H13F2N3O4S, Application of 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics