Month: December 2022

Chai, Xiaoyun published the artcileDesign, synthesis, and biological evaluation of novel 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-substituted benzylamino-2-propanols, HPLC of Formula: 86386-77-8, the publication is Bioorganic & Medicinal Chemistry Letters (2009), 19(6), 1811-1814, database is CAplus and MEDLINE.

Based on the results of computational docking to the active site of the cytochrome P 450 14α-demethylase (CYP51), a series of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-substituted benzylamino-2-propanols, e.g., I, as analogs of fluconazole were designed, synthesized, and evaluated as antifungal agents. Results of preliminary antifungal tests against eight human pathogenic fungi in vitro showed that all the title compounds exhibited excellent activities with broad spectrum.

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, HPLC of Formula: 86386-77-8.

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

Chai, Xiaoyun published the artcileNew azoles with antifungal activity: Design, synthesis, and molecular docking, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is Bioorganic & Medicinal Chemistry Letters (2011), 21(2), 686-689, database is CAplus and MEDLINE.

In order to search for many target compounds with excellent activities, a series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluoro-phenyl)-3-[(4-substituted phenyl)-piperazin-1-yl]-propan-2-ols were designed, synthesized, and evaluated as antifungal agents. Results of preliminary antifungal tests against eight human pathogenic fungi in vitro showed that all the title compounds exhibited excellent activities with broad spectrum. Moreover, a mol. model for the binding between I and the active site of CACYP51 was provided based on the computational docking results.

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, 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

Chai, Xiaoyun published the artcileDesign, synthesis and molecular docking studies of novel triazole as antifungal agent, Application In Synthesis of 86386-77-8, the publication is European Journal of Medicinal Chemistry (2011), 46(7), 3167-3176, database is CAplus and MEDLINE.

In order to meet the urgent need for novel antifungal agents with improved activity and broader spectrum, a series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-[(4-substituted trifluoromethyl phenyl)-piperazin-1-yl]-propan-2-ols I [R = alkyl, aryl, arylalkenyl, heteroaryl(alkenyl)] were designed, synthesized and evaluated as antifungal agents. The MIC₈₀ values indicate that the compounds I [R = arylalkenyl, heteroaryl(alkenyl)] showed higher antifungal activities against Candida albicans than I [R = alkyl, aryl]. Moreover, the mol. model for the binding between compound I [R = Me, CH:CHPh] and the active site of CACYP51 was provided based on the computational docking results, and the structure-activity relationship was analyzed.

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, Application In Synthesis of 86386-77-8.

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

Chai, Xiaoyun published the artcileDesign, synthesis, and biological evaluation of novel triazole derivatives as inhibitors of cytochrome P450 14α-demethylase, Name: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is European Journal of Medicinal Chemistry (2009), 44(5), 1913-1920, database is CAplus and MEDLINE.

Based on the results of computational docking to the active site of the cytochrome P 450 14α-demethylase (CYP51), a series of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols I (R = H, 2-F, 2,4-Cl₂, 4-MeO₂C, PhO₂C, etc.) as analogs of fluconazole were designed, synthesized, and evaluated as antifungal agents. The MIC₈₀ values indicate that compounds I (R = H, 2-F, 4-Me, etc.) exhibited higher activity against nearly all fungi tested except Aspergillus fumigatus than fluconazole, while I (R = COOR¹, R¹ = Me, Et, iso-Pr, COOAr, etc.; Ar = Ph, 3-O₂NC₆H₄, 4-ClC₆H₄, 2-MeO₂CC₆H₄, etc.) showed no activity or only moderate activity against all fungi tested. Noticeably, the MIC value of I (R = H, 2-F, 4-Cl) is 64 times lower than that of fluconazole against Microsporum gypseum in vitro. And I (R = H, 2-F, CO₂Et) showed 128 times higher activity (with the MIC₈₀ value of 0.0039 μg/mL) than that of fluconazole against Candida albicans and also showed higher activity than that of the other pos. controls. Computational docking experiments indicated that the inhibition of CYP51 involves a coordination bond with iron of the heme group, the hydrophilic H-bonding region, the hydrophobic region, and the narrow hydrophobic cleft. In addition, the activity of the compounds would be enhanced when the side chains were shorter.

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, Name: 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

Wu, Jin-Ting published the artcileNitrogen-Rich Amino-triazolium Salts Based on Binary 4,5-Dicyano-1,2,3-triazolate (C₄N₅^–) Anion, Synthetic Route of 53817-16-6, the publication is Zeitschrift fuer Anorganische und Allgemeine Chemie (2016), 642(5), 409-413, database is CAplus.

A series of amino-triazolium salts based on 4,5-dicyano-1,2,3-triazolate (C₄N₅^–) anion were synthesized for first time by means of facile deprotonation reactions. The ionic compounds were characterized by single-crystal X-ray diffraction, vibrational spectroscopy, and elemental anal. The thermal stability of the salts was assessed by differential scanning calorimetry, which showed good thermal stabilities up to above 180 °C. The heats of formation of these salts were computed using the methods of isodesmic reactions. In addition, the sensitivities of the studied salts toward impact and friction were determined, and all salts were found to be neither impact (> 40 J) nor friction sensitive (> 360 N).

Zeitschrift fuer Anorganische und Allgemeine Chemie published new progress about 53817-16-6. 53817-16-6 belongs to triazoles, auxiliary class Triazoles, name is 1H-1,2,3-Triazole-4,5-dicarbonitrile, and the molecular formula is C17H14F3N3O2S, Synthetic Route of 53817-16-6.

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

Chen, Jing-Lin published the artcileHeterobimetallic copper(I) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functionalized 3-(2′-pyridyl)-1,2,4-triazole, Recommanded Product: 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, the publication is New Journal of Chemistry (2019), 43(10), 4261-4271, database is CAplus.

Cationic and neutral heterobimetallic Cu(I) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functional 3-(2′-pyridyl)-1,2,4-triazole were synthesized. They all show a highly distorted tetrahedral P₂N₂ geometry around Cu(I), in which functional 3-(2′-pyridyl)-1,2,4-triazole adopts either mono-anionic η²(N1,N2) or neutral η²(N1,N2) or η²(N1,N4) bonding mode, depending on the substituent and NH ⇄ N^– conversion of 1,2,4-triazole. All these Cu(I) complexes are air-stable in both solution and solid states, and isomerization is only observed in solution for the cationic complex with a bulky tert-Bu group, as evidenced by ¹H and ³¹P NMR studies. All these 1,2,4-triazole-based complexes show a relatively weak and broadened low-energy absorption band, attributed to the charge-transfer transitions, as suggested by time-dependent d. functional theory (TDDFT) calculations, which is more influenced by the NH ⇄ N^– conversion of 1,2,4-triazole relative to the variation of their substituents. Since the charge-transfer excited state is quenched by a photoinduced intramol. energy transfer from the {Cu(NÑ)(PP)} moiety to the ferrocene, as supported by the lowered oxidation potential of the ferrocene in comparison to the Cu(I) center, these dppf-based Cu(I) complexes all show no detectable emission in solution and solid states at room temperature and at 77 K.

New Journal of Chemistry published new progress about 219508-27-7. 219508-27-7 belongs to triazoles, auxiliary class Trifluoromethylated Building Blocks, name is 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, and the molecular formula is C8H5F3N4, Recommanded Product: 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

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

Keshavarz, Mohammad Hossein published the artcileA simple approach for predicting impact sensitivity of polynitroheteroarenes, Application of 4-Nitro-2H-1,2,3-triazole, the publication is Journal of Hazardous Materials (2009), 166(2-3), 1115-1119, database is CAplus and MEDLINE.

A method is introduced to predict impact sensitivity of different types of polynitroheteroarenes which can include nitropyridine, nitroimidazole, nitropyrazole, nitrofurazane, nitrooxadiazole, nitro-1,2,4-triazole, nitro-1,2,3-trazole and nitropyrimidine explosives. The model is based on the number of carbons and hydrogens as well as specific structural parameters that can increase or decrease impact sensitivity. This method was applied to 67 polynitroheteroarenes which have different structural parameters. The predicted results are compared with outputs of recent calculated results of complex neural network. The root mean squares (rms) of deviations of different polynitroheteroarenes are 36 and 66 cm for the new and neural network methods, resp. This model also predicts good results for some miscellaneous nitroheterocyclic explosives and several new synthesized polynitroheteroarenes compared to exptl. data.

Journal of Hazardous Materials published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Application of 4-Nitro-2H-1,2,3-triazole.

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