Month: December 2022

Sheng, Chunquan published the artcileSynthesis and antifungal activity of 1-(1H-1,2,4-triazole)-2-(2,4-diflurophenyl)-3-(N-methyl-N-substituted benzylamino)-2-propanols, Computed Properties of 86386-77-8, the publication is Journal of Chinese Pharmaceutical Sciences (2002), 11(2), 5-10, database is CAplus.

Eleven 1-(1H-1,2,4-triazole)-2-(2,4-diflurophenyl)-3-(N-methyl-N-substituted benzylamino)-2-propanols were designed and synthesized, on the basis of the crystal structure of P 450 cytochrome 14α-sterol demethylase(CYP51) and the docking results of inhibitors to the active site of the enzyme. All title compounds were first by reported. Results of preliminary biol. tests showed that most of title compounds exhibited activity against the seven common pathogenic fungi. Compound 11 showed best antifungal activity with broad antifungal spectrum and proved to be more active against Cryptococcus neoformans, Candida albicans, Microsporum lanosum and Trichophyton rubrum than ketoconazole. Compounds 3, 10 and 4 also had high activities.

Journal of Chinese Pharmaceutical Sciences 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 C3H8N2S, Computed Properties of 86386-77-8.

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

Sheng, Chunquan published the artcileSynthesis and antifungal activity of 1-(1,2,4-triazolyl-1H-1-yl)-2-(2,4-diflurophenyl)-3-(4-substituted benzyl-1-piperazinyl)-2-propanols, Formula: C12H13F2N3O4S, the publication is Yaoxue Xuebao (2003), 38(9), 665-670, database is CAplus and MEDLINE.

A series of triazole antifungals were synthesized to search for novel triazole antifungals with more potent activity, less toxicity, and broader spectrum. Nineteen new 1-(1H-1,2,4-triazolyl-1-yl)-2-(2,4-diflurophenyl)-3-[4-(4-R-benzyl)-1-piperazinyl]-2-propanols I (R = p-t-Bu, halo, Me, nitro, Et, and/or cyano) were designed and synthesized based on the three dimensional structure of P 450 cytochrome 14α-sterol demethylase (CYP51), and their antifungal activities were also evaluated. The preliminary biol. tests showed that most of the title compounds exhibited high activity against eight common pathogenic fungi and the activities against deep fungi were higher than those against shallow fungi. Most of the title compounds showed higher antifungal activities than Fluconazole and Terbinafine.

Yaoxue 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 C12H16N2O2, Formula: C12H13F2N3O4S.

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

Sheng, Chunquan published the artcileStructure-Based Optimization of Azole Antifungal Agents by CoMFA, CoMSIA, and Molecular Docking, Application of 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is Journal of Medicinal Chemistry (2006), 49(8), 2512-2525, database is CAplus and MEDLINE.

In a continuing effort to develop highly potent azole antifungal agents, the three-dimensional quant. structure-activity relationship methods, CoMFA and CoMSIA, were applied using a set of novel azole antifungal compounds The binding mode of the compounds at the active site of lanosterol 14α-demethylase was further explored using the flexible docking method. Various hydrophobic, van der Waals, π-π stacking, and hydrogen bonding interactions were observed between the azoles and the enzyme. Based on results from the mol. modeling, a receptor-based pharmacophore model was established to guide the rational optimization of the azole antifungal agents. Thus, a total of 57 novel azoles were designed and synthesized by a three-step optimization process. In vitro antifungal assay revealed that the antifungal activities of these novel azoles were greatly improved, which confirmed the reliability of the model from mol. modeling.

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 C3H6O2, 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

Sheng, Chun Quan published the artcileDesign, synthesis and antifungal activity of novel triazole derivatives, Quality Control of 86386-77-8, the publication is Chinese Chemical Letters (2004), 15(4), 404-407, database is CAplus.

Twenty-one 1-(1H-1,2,4-triazolyl)-2-(2,4-diflurophenyl)-3-(4-substituted-1-piperazinyl)-2-propanol derivatives were designed and synthesized, on the basis of the active site of lanosterol 14α-demethylase. In vitro antifungal activities showed that some of the target compounds had higher antifungal activity and broader antifungal spectrum than fluconazole.

Chinese Chemical 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 C3H6O2, Quality Control of 86386-77-8.

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

Li, Xiao-Hong published the artcileTheoretical studies on a series of 1,2,3-triazole derivatives as potential high energy density compounds, Computed Properties of 84406-63-3, the publication is Structural Chemistry (2011), 22(3), 577-587, database is CAplus.

Based on the full-optimized mol. geometric structures at B3LYP/6-31G* and B3P86/6-31G* levels, the densities (ρ), detonation velocities (D), and pressures (P) for a series of 1,2,3-triazole derivatives, as well as their thermal stabilities, were investigated to look for high energy d. compounds (HEDCs). The heats of formation (HOFs) are also calculated via designed isodesmic reactions. The calculations on the bond dissociation energies (BDEs) indicate that the BDEs of the initial scission step are between 53 and 70 kcal/mol, and 4-nitro-1,2,3-triazole is the most reactive compound, while 1-(2′,4′-dinitrophenyl)-5-nitro-1,2,3-triazole is the least reactive compound for 1,2,3-triazole derivatives studied. The condensed phase heats of formation are also calculated for the title compounds These results would provide basic information for the further studies of HEDCs. The detonation data of 1-(3′,4′-dinitrophenyl)-4-nitro-1,2,3-triazole and 1-(2′,4′-dinitrophenyl)-4-nitro-1,2,3-triazole show that they meet the requirement for HEDCs.

Structural Chemistry 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, Computed Properties of 84406-63-3.

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

Liu, Yi published the artcileRapid visual identification of nitroaromatics compounds by aggregation-induced enhanced emission fluorescent assays with a Cd(II)-H₃BTT complex, Recommanded Product: 1H-1,2,3-Triazole-4,5-dicarbonitrile, the publication is Sensors and Actuators, B: Chemical (2019), 126623, database is CAplus.

A new type of aggregation induced enhance emission (AIEE) active Cd(II) complex based on novel nitrogen-rich polycyclic ligand 4,5-bis(tetrazol-5-yl)-2H-1,2,3-triazole (H₃BTT) and its metal organic gel (MOG) had been synthesized for the first time. The colloid of Cd(II)-H₃BTT complex showed obvious AIEE characteristics in binary solvent system of DMF and ethanol, and displayed high sensitivity and selectivity for PA sensing over other nitroaroms. like DNB, TNB and TNT, where the limit of detection had been found as low as 9.3 × 10^-7 M. Further, visual colorimetric recognition in colloidal state sensor and coated filter paper were all accomplished by spiking PA in tap water and river water. Interestingly, after being ripened, this colloid could be converted into stable MOG with the AIEE performance inherited, which also shown good fluorescence recognition ability and excellent reusability for the visual colorimetric PA detection. And this regenerated colloid from the MOG storage for a period of time kept the same detection ability for PA as fresh colloid. Finally, the recognition mechanism of PA was confirmed as the counterion-displacement assays by FTIR and UV experiments This novel Cd(II)-H₃BTT complex provided a new insight into the design and synthesis of AIEE naked eyes recognized sensor for nitroaroms. with a simple and cheap preparation process, high sensitivity and stable storage.

Sensors and Actuators, B: Chemical 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 C4HN5, Recommanded Product: 1H-1,2,3-Triazole-4,5-dicarbonitrile.

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

Wang, Shudong published the artcileSynthesis and evaluation of some substituted heterocyclic fluconazole analogues as antifungal agents, COA of Formula: C12H13F2N3O4S, the publication is Asian Journal of Chemistry (2014), 26(8), 2362-2364, database is CAplus.

A new series of fluconazole analogs I [R = 2-CH₃, 3,5-(NO₂)₂, 4-tert-Bu, etc.] were designed, synthesized and evaluated as antifungal agents. Most of the synthesized compounds showed moderate activity against eight human pathogenic fungi in vitro. Compounds I (R = 2-CH₃, 4-n-Pr) showed the best antifungal activity against Candida albicans with the value of MIC₈₀ = 0.5 μg/mL for both.

Asian Journal of 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 C4H6O3, COA of Formula: C12H13F2N3O4S.

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

Ma, Chunlin published the artcileSyntheses, characterizations and crystal structures of new triorgano-tin or -germanium complexes with 1H-5-mercapto-1,2,3-triazolato, Category: triazoles, the publication is Polyhedron (2004), 23(11), 1981-1986, database is CAplus.

Triorganotin and triorganogermanium(IV) complexes with 1H-5-mercapto-1,2,3-triazolato, R₃MSC₂H₂N₃ [M = Sn, R = CH₃, (1); C₂H₅, (2); Bu, (3); C₆H₅, (4); M = Ge, R = CH₃, (5); C₂H₅, (6); Bu, (7); C₆H₅, (8)], were synthesized. All the complexes 1–8 were characterized by elemental, IR and ¹H NMR analyses. Among them complexes 4 and 8 also were characterized by x-ray crystallog. diffraction analyses, which revealed that the Sn and Ge atom environments are distorted tetrahedral coordination polyhedrons, coordinated to three Ph groups and to one S atom of the ligand. The packing of complexes 4 and 8 is stabilized into a 1-dimensional infinite chain by intermol. N-H···N H bonds.

Polyhedron published new progress about 59032-27-8. 59032-27-8 belongs to triazoles, auxiliary class Triazoles, name is Sodium 1,2,3-triazole-5-thiolate, and the molecular formula is C2H2N3NaS, Category: triazoles.

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

Jiang, Yongwei published the artcileSynthesis, in vitro evaluation and molecular docking studies of new triazole derivatives as antifungal agents, COA of Formula: C12H13F2N3O4S, the publication is Bioorganic & Medicinal Chemistry Letters (2011), 21(15), 4471-4475, database is CAplus and MEDLINE.

On the basis of the active site of lanosterol 14α-demethylase from Candida albicans (CACYP51), a series of 1-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)-1H-1,2,4-triazol-5(4H)-one derivatives I (R = 4-F, 2-F, 4-Cl, 3-Cl, 2,4-Cl₂, 3-Br, 2-Br, 4-MeO, 3-MeO, 4-OCF₃, 4-Me, 3-Me, 2-Me, 3,4-Me₂, 2,4-Me₂, 4-nPr, 4-Bu, 4-pentyl, 4-hexyl, 4-tBu, 4-iPr) and II (R = 4-F, 3-F, 2-F, 4-Cl, 3,4-Cl₂, 4-Br, 3-Br, 4-Me, 2,3-Me₂, 4-MeO, 3,4-(MeO)₂,2,4-(MeO)₂, 4-NO₂, 3-NO₂, 2-NO₂, 3-CN) were synthesized as fluconazole analogs. Results of the preliminary antifungal tests against eight human pathogenic fungi in vitro showed that these compounds exhibited activities to some extent, and some displayed excellent antifungal activities against C. albicans than reference drug fluconazole. Flexible mol. docking was used to analyze the structure-activity relationships (SARs) of the target 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 C12H13F2N3O4S, COA of Formula: C12H13F2N3O4S.

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

Dan, Zhi Gang published the artcileDesign and synthesis of novel triazole antifungal derivatives based on the active site of fungal lanosterol 14α-demethylase (CYP51), Quality Control of 86386-77-8, the publication is Chinese Chemical Letters (2009), 20(8), 935-938, database is CAplus.

A series of triazoles I (R = NCCH₂, MeOC₆H₄, PhC(O)OC₆H₄CH₂, etc.) have been designed and synthesized as potential inhibitors of lanosterol 14α-demethylase (CYP51) and antifungal agents. Their structures were confirmed by MS and ¹H NMR. In vitro antifungal activities of these synthesized compounds were evaluated against eight human pathogenic fungi. All title compounds exhibited some antifungal activity.

Chinese Chemical 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, Quality Control of 86386-77-8.

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