Day: November 29, 2022

Wang, Wenya published the artcileDiscovery of highly potent antifungal triazoles by structure-based lead fusion, Application of 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is MedChemComm (2011), 2(11), 1066-1072, database is CAplus.

By means of structure-based lead fusion, a series of novel drug-like azoles possessing 4-(benzyloxy)piperidin-1-yl side chains were rationally designed and synthesized. Flexible mol. docking studies indicated that the newly synthesized azoles took advantages of the key interactions between the two lead structures and CACYP51. As a result, they revealed improved antifungal activity and broader spectrum. All the new azoles showed good to excellent in vitro antifungal activity against all of the tested pathogenic fungi (MIC₈₀ range: 2.33-0.01 μM). Compounds 10a, 10g and 10h, the most active azoles toward Candida albicans (MIC₈₀ = 0.01 μM) are 82 fold more potent than fluconazole. In particular, all the compounds also showed good activity against Aspergillus fumigatus (MIC₈₀ = 2.33-0.55 μM) that is not sensitive to fluconazole.

MedChemComm 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 C12H15BO4, 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

Hu, Fa-Chun published the artcileDesign of Os^II-based Sensitizers for Dye-Sensitized Solar Cells: Influence of Heterocyclic Ancillaries, COA of Formula: C8H5F3N4, the publication is ChemSusChem (2013), 6(8), 1366-1375, database is CAplus and MEDLINE.

A series of Os^II sensitizers (TFOS-x, in which x = 1, 2, or 3) with a single 4,4′-dicarboxy-2,2′-dipyridine (H₂dcbpy) anchor and two chelating 2-pyridyl (or 2-pyrimidyl) triazolate ancillaries was successfully prepared Single-crystal X-ray structural anal. showed that the core geometry of the Os^II-based sensitizers consisted of one H₂dcbpy unit and two eclipsed cis-triazolate fragments; this was notably different from the Ru^II-based counterparts, in which the azolate (both pyrazolate and triazolate) fragments are located at the mutual trans-positions. The basic properties were extensively probed by using spectroscopic and electrochem. methods as well as time-dependent d. functional theory (TD-DFT) calculations Fabrication of dye-sensitized solar cells (DSCs) was then attempted by using the I^–/I₃^–-based electrolyte solution One such DSC device, which utilized TFOS-2 as the sensitizer, showed promising performance characteristics with a short-circuit c.d. (J_SC) of 15.7 mA cm^-2, an open-circuit voltage of 610 mV, a fill factor of 0.63, and a power conversion efficiency of 6.08 % under AM 1.5G simulated one-sun irradiation Importantly, adequate incident photon-to-current conversion efficiency performances were observed for all TFOS derivatives over the wide spectral region of 450-950 nm, showing a panchromatic light harvesting capability that extended into the near-IR regime. The results underlined a feasible strategy for maximizing J_SC and increasing the efficiency of DSCs.

ChemSusChem 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, COA of Formula: C8H5F3N4.

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

Yu, Shichong published the artcileSynthesis and antifungal activity of the novel triazole derivatives containing 1,2,3-triazole fragment, Computed Properties of 86386-77-8, the publication is Archives of Pharmacal Research (2013), 36(10), 1215-1222, database is CAplus and MEDLINE.

A series of fluconazole analogs containing a 1,2,3-triazole fragment has been designed and synthesized on the basis of the active site of the cytochrome P 450 14α-demethylase (CYP51). Their structures were characterized by ¹H NMR, ¹³C NMR, and LC-MS. The MIC₈₀ values indicate that the target compounds showed higher activities against nearly all the fungi tested to some extent except against Aspergillus fumigatus. Several compounds, e.g. I, showed 128 times higher activity (with the MIC₈₀ value of 0.0039 mg/mL) than that of fluconazole against Candida albicans and also showed higher activity than that of the other pos. controls.

Archives of Pharmacal Research 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 C7H16ClNO2, Computed Properties of 86386-77-8.

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

Gao, Yijun published the artcileDesign and synthesis of fluconazole derivatives, Quality Control of 86386-77-8, the publication is Zhongguo Xinyao Zazhi (2012), 21(6), 681-685, 700, database is CAplus.

Fluconazole derivatives I [wherein R = cyclopropyl, 1-Bu, 1-Pr, allyl, propargyl, iso-Bu, cyclopentyl, iso-Pr, Et, 1-pentyl, 1-hexyl, cyclohexyl, or benzyl] were designed and synthesized. Based on the previous result of computer-aided drug design, we systematically altered the structure of fluconazole according to the structure-activity relationships of the azoles in antifungal compounds and synthesized target compounds in six steps. Thirteen new compounds were synthesized. The structures were confirmed by ¹H-NMR and MS. The design of synthetic route is reasonable. Target compounds are correct and can be used for further study of pharmacol. activities.

Zhongguo Xinyao 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, Quality Control of 86386-77-8.

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

Yu, Shichong published the artcileMolecular docking, design, synthesis and antifungal activity study of novel triazole derivatives containing the 1,2,3-triazole group, Product Details of C12H13F2N3O4S, the publication is RSC Advances (2013), 3(32), 13486-13490, database is CAplus.

A series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-[N-propyl-N-((1-substituted-1H-1,2,3-triazol-4-yl)methyl)amino]-2-propanols which are analogs of fluconazole, have been designed and synthesized on the basis of computational docking experiments to the active site of the cytochrome P 450 14α-demethylase (CYP51). Their structures were characterized by ¹H NMR, ¹³C NMR and HR ESI MS. The MIC₈₀ values indicate that the target compounds, e.g., I, showed higher activities against nearly all the fungi tested to some extent except against A. fum. and T. rub. All of the target compounds exhibited higher activities against C. alb. SC5314 and C. alb. Y0109 than all of the six pos. controls.

RSC Advances 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 C20H21ClN4O4, Product Details of C12H13F2N3O4S.

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

Cheng, Wei published the artcileBlue iridium(III) complexes with high internal quantum efficiency based on 4-(pyridin-3-yl)pyrimidine derivative and their electroluminescent properties, Name: 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, the publication is Dyes and Pigments (2020), 108257, database is CAplus.

Three novel highly efficient blue bicyclometalated Ir(III) complexes (Ir1-Ir3) were designed and synthesized with 4-(2,6-difluoropyridin-3-yl)-6-mesitylpyrimidine as primary ligands. The alternation of ancillary ligands had precisely regulated their emitting peaks from sky-blue to deep-blue. These complexes exhibit unimodal emission with PLQYs >90% and lifetimes shorter than 1.1μs. These complexes also show good thermal stability with T_d > 320°. The OLED using complex Ir3 as emitter in 13% exhibited a maximum luminous efficiency of 16.9 cd A^-1 with a high EQE of 13.0%. The CIE coordinates of this device are (0.15, 0.16), which are close to the standard blue color region.

Dyes and Pigments 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, Name: 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

Sun, Peng published the artcileBlue-emitting Ir(III) complexes using fluorinated bipyridyl as main ligand and 1,2,4-triazol as ancillary ligand: syntheses, photophysical properties and performances in devices, Recommanded Product: 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, the publication is Tetrahedron (2016), 72(50), 8335-8341, database is CAplus.

The blue-light-emitting Ir(III) complexes using 2-(3-(trifluoromethyl) -1H-1,2,4-triazol-5-yl)pyridine and fluorinated 2-phenylpyridine as ligands were synthesized and characterized in details. Their mol. structures were confirmed by ¹H NMR, FT-IR and elemental analyzer. The emission peaks of complex (F_2,4ppy)₂Ir(tfmptz) using 2-(2,4-difluorophenyl)pyridine as main ligand are located at 457 and 481 nm. Increasing the number of F atoms leads to a lower the LUMO energy level. Phosphorescent organic light-emitting devices doped the synthesized Ir(III) complexes into 4,4′-N,N’-dicarbazolebiphenyl as emitting layers were fabricated. The based-(F_3,4,5ppy)₂Ir(tfmptz) device shows the maximum current efficiency of 9.9 cd/A with the electroluminescent peaks at 471 and 502 nm.

Tetrahedron 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 C4H5F3O, 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

Sun, Jing published the artcileSynthesis, structure, photophysical and electroluminescent properties of a blue-green self-host phosphorescent iridium(III) complex, Recommanded Product: 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, the publication is Materials Chemistry and Physics (2015), 392-399, database is CAplus.

A kind of blue-green self-host phosphorescent Ir(III) complex, (CzPhBI)₂Ir(tfmptz) [CzPhBI = 9-(6-(2-phenyl-1-benzimidazolyl)hexyl)-9-carbazole; tfmptz = 2-(5-trifluoromethyl-1,2,4-triazolyl)pyridine], was designed and synthesized. The synthesized Ir(III) complex was characterized by ¹H NMR, ¹⁹F NMR, FTIR, elemental anal. and x-ray single-crystal diffraction, resp. Its thermal properties, optical properties and electrochem. properties were also studied. The host-free organic electroluminescent devices with the configuration of ITO/MoO₃ (3 nm)/NPB (30 nm)/TAPC (15 nm)/(CzPhBI)₂Ir(tfmptz) (30 nm)/TBPI (30 nm)/LiF (1 nm)/Al (100 nm) had been fabricated. The devices exhibited excellent performance indicating that (CzPhBI)₂Ir(tfmptz) was a promising phosphorescent material.

Materials Chemistry and Physics 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 C6H5F4NO3S, 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

Xu, Huixia published the artcileTwo novel bipolar Ir(III) complexes based on 9-(4-(pyridin-2-yl)phenyl)-9H-carbazole and N-heterocyclic ligand, Product Details of C8H5F3N4, the publication is Dyes and Pigments (2017), 316-322, database is CAplus.

Two novel bipolar Ir(III) complexes named (Czppy)₂Ir(tfmptz) and (Czppy)₂Ir(pptz) were synthesized and characterized, where the Czppy is 9-(4-(pyridin-2-yl)phenyl)-9H-carbazole, Htfmptz refers to 2-(3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)pyridine and Hpptz represents 2-(1H-tetrazol-5-yl)pyridine, resp. Their mol. structures were confirmed by ¹H NMR and photophys. were studied. The performances in phosphorescent organic light emitting devices (PhOLEDs) were characterized by a heavy doping concentration of 20% in host as emitting layer. The results suggest that the number of N atoms in ancillary has no obvious effects on their photophys. properties. (Czppy)₂Ir(tfmptz) and (Czppy)₂Ir(pptz) display blue-green emission with peaks at 493 and 526 nm. The performance of (Czppy)₂Ir(tfmptz) in PhOLEDs is superior to that of (Czppy)₂Ir(pptz) due to poor thermal stability.

Dyes and Pigments 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 C11H15NOS, Product Details of C8H5F3N4.

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