Month: November 2022

Liao, Jun published the artcileSynthesis and biological evaluation of novel fluconazole analogues bearing 1,3,4-oxadiazole moiety as potent antifungal agents, Quality Control of 86386-77-8, the publication is Archives of Pharmacal Research (2015), 38(4), 470-479, database is CAplus and MEDLINE.

A novel series of fluconazole based mimics incorporating 1,3,4-oxadiazole moiety were designed and synthesized. All the title compounds were characterized by ¹H-NMR, ¹³C-NMR, and Q-TOF-MS. Preliminary results revealed that most of analogs exhibited significant antifungal activity against seven pathogenic fungi. Compound I [R = 2-Br, 3-OMe] (MIC₈₀ ≤ 0.125 μg/mL, resp.) were found more potent than the pos. controls itraconazole and fluconazole as broad-spectrum antifungal agents. The observed docking results showed that the 1,3,4-oxadiazole moiety enhanced the affinity binding to the cytochrome P 450 14α-demethylase (CYP51).

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 C12H13F2N3O4S, Quality Control of 86386-77-8.

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

Xu, Huixia published the artcileSynthesis and characterization of blue-to-green electrophosphorescence emitter based on pyrazole iridium complexes, Recommanded Product: 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, the publication is Dyes and Pigments (2013), 99(1), 67-73, database is CAplus.

To overcome the roll-off efficiency of electrophosphorescent organic light-emitting devices, Ir(III) complexes of (ppz)₂Ir(NN) were synthesized and named for (ppz)₂Ir(tfmpptz), (ppz)₂Ir(fpptz), (ppz)₂Ir(tfmptz) and (ppz)₂Ir(pybi) (ppz: 1-phenylpyrazolato; NN: N, N’-heteroaromatic). Their mol. structures, photophys. properties and cyclic voltammetric data were reported. The crystals of (ppz)₂Ir(tfmpptz), (ppz)₂Ir(fpptz) are monoclinic, space group P2(1)/n, and (ppz)₂Ir(tfmptz) is triclinic, space group P-1. The emission maximum peaks of (ppz)₂Ir(tfmpptz), (ppz)₂Ir(fpptz), (ppz)₂Ir(tfmptz) and (ppz)₂Ir(pybi) at room temperature appear at 486, 497, 473 and 530 nm, resp. The devices with architecture of ITO/NPB (30 nm)/CBP: (ppz)₂Ir(NN) (6%, 30 nm)/BAlq(10 nm)/Alq₃(30 nm)/LiF(1 nm)/Al (100 nm) were fabricated by thermal evaporation The larger steric hindrance of ancillary ligands efficiently suppressed the roll-off of efficiency at high c.d.

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 C33H29N3O3, 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

Wang, Z. published the artcilePreladenant, a selective adenosine A_2A receptor antagonist, is not associated with QT/QTc prolongation, Quality Control of 377727-87-2, the publication is European Journal of Clinical Pharmacology (2013), 69(10), 1761-1767, database is CAplus and MEDLINE.

Purpose: Preladenant is an orally administered adenosine_2A (A_2A) receptor antagonist in phase III development for Parkinson’s disease treatment. This thorough QT/QTc study evaluated its potential effects on cardiac repolarization. Methods: This was a randomized, double-blind, pos.- and placebo-controlled, four-period crossover study performed under steady-state exposure of clin. and supratherapeutic doses of preladenant (10 mg BID and 100 mg BID, resp., for 5 days), moxifloxacin (400 mg on day 5), or placebo in 60 healthy adult volunteers. The potential effect on QTcF was measured by the largest upper bound of 95 % one-sided CIs for the mean changes from time-matched baseline ECG recordings compared with placebo. Plasma preladenant concentrations were also determined on day 5. Results: The QTcF difference for moxifloxacin compared with placebo exceeded 5 ms from 1 to 12 h postdose, establishing assay sensitivity. The QTcF interval was similar between the preladenant and placebo treatment groups: the upper bound of the 95 % one-sided CI for the mean difference in QTcF between preladenant and placebo was less than 10 ms at all time points for the supratherapeutic treatment group (1.3 to 5.7 ms, mean difference: -1.3 to 2.7 ms) and the therapeutic treatment group (0.4 to 4.3 ms, mean difference: -2.1 to 1.5 ms), substantially below the threshold of regulatory concern. The supratherapeutic dose (100 mg BID) provided a C_max margin of 6.1-fold and AUC margin of 6.9-fold, resp., compared with 10 mg BID. Conclusions: At clin. and supratherapeutic doses, preladenant is not associated with QTc prolongation.

European Journal of Clinical Pharmacology published new progress about 377727-87-2. 377727-87-2 belongs to triazoles, auxiliary class GPCR/G Protein,Adenosine Receptor, name is 2-(Furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine, and the molecular formula is C12H15ClO3, Quality Control of 377727-87-2.

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

Zhou, Guochuan published the artcileSynthesis and antifungal activity of 2-(2,4-difluorophenyl)-1-(4-alkylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)-2-propanol, Application In Synthesis of 86386-77-8, the publication is Huaxue Yanjiu Yu Yingyong (2003), 15(4), 521-523, database is CAplus.

Four 1-(4-R-piperazin-1-yl)-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)-2-propanol derivatives (I; R = Me, Et, sec-Bu, or cyclopentyl) were designed and synthesized by acylating 1,3-difluorobenzene with chloroacetyl chloride in the presence of AlCl₃, substituting with 1,2,4-triazole in the presence of NaHCO₃, reacting with trimethylsulfoxonium iodide in toluene-20% NaOH solution in the presence of cetyltrimethylammonium bromide at 60° for 3 h, salifying with methanesulfonic acid in Et acetate, and then ring opening with 1-R-piperazine in ethanol, and their antifungal activities in vitro were determined All title compounds exhibited mild activities against yeast.

Huaxue Yanjiu Yu Yingyong 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 C12H9NO, Application In Synthesis of 86386-77-8.

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

Yu, Guan-Ping published the artcileSynthesis and fungicidal evaluation of 2-arylphenyl ether-3-(1H-1,2,4-triazol-1-yl)propan-2-ol derivatives, Application In Synthesis of 136815-80-0, the publication is Journal of Agricultural and Food Chemistry (2009), 57(11), 4854-4860, database is CAplus and MEDLINE.

A series of novel 2-arylphenyl ether-3-(1H-1,2,4-triazol-1-yl)propan-2-ol derivatives were designed and synthesized as candidate fungicides. The new compounds were identified by ¹H NMR spectroscopy and element anal. Their antifungal activities were evaluated. They exhibited excellent antifungal activities against five common pathogens in comparison with the com. fungicides tebuconazole and difenoconazole. The antifungal activities of three new triazole alc. compounds were compared with those of tebuconazole and difenoconazole at a concentration of 1 μg/mL.

Journal of Agricultural and 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 C7H5ClN2S, Application In Synthesis of 136815-80-0.

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

Wang, Yanwei published the artcileSynthesis and antifungal activity of novel triazole compounds containing piperazine moiety, Name: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is Molecules (2014), 19(8), 11333-11340, 8 pp., database is CAplus and MEDLINE.

Design and synthesis of triazole library antifungal agents having piperazine side chains, analogs to fluconazole I (R = 2-F, 3-F, 4-F, etc.) were documented. The synthesis highlighted utilization of the click chem. on the basis of the active site of the cytochrome P 450 14α-demethylase (CYP51). The influences of piperazine moiety on in vitro antifungal activities of all the target compounds were evaluated against eight human pathogenic fungi.

Molecules 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 C24H26ClNO4, 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

Sun, Qing-Yan published the artcileSynthesis of novel triazole derivatives as inhibitors of cytochrome P450 14α-demethylase (CYP51), Computed Properties of 86386-77-8, the publication is European Journal of Medicinal Chemistry (2007), 42(9), 1226-1233, database is CAplus and MEDLINE.

A series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-[(4-substitutedphenyl)-piperazin-1-yl]-propan-2-ols have been designed and synthesized on the basis of the structure-activity relationships and antimycotic mechanism of azole antifungal agents. Their structures were confirmed by elemental anal., IR, MS and ¹H NMR. Results of preliminary antifungal tests against eight human pathogenic fungi (Candida albicans, Candida parapsilosis, Candida tropicalis, Cryptococcus neoformans, Aspergillus fumigatus, Trichophyton rubrum, Fonsecaea compacta, and Microsporum gypseum) in vitro showed that all title compounds exhibited activity against fungi tested to some extent. Among the compounds tested, all compounds showed higher activity against C. albicans than fluconazole in vitro. Several compounds exhibited the same activities against C. albicans as voriconazole (with the MIC value of 0.0152 μg/mL). Three compounds showed higher activity against C. parapsilosis than all five pos. controls.

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 C24H20Ge, Computed Properties of 86386-77-8.

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

Liu, Chaomei published the artcileSynthesis and antifungal activities of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted group-2-propanols, HPLC of Formula: 86386-77-8, the publication is Zhongguo Yaowu Huaxue Zazhi (2004), 14(3), 129-133, database is CAplus.

The title compounds 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-(4-alkyloxyphenylpiperazin-1-yl)-2-propanols, e.g. I, and 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted sulfur ether-2-propanols, e.g. II, were synthesized through the reaction of an intermediate epoxide and 4-alkyloxyphenylpiperazines or substituted sulfur alcs. The structures were confirmed by the elementary anal., ¹H-MR and IR spectra. MIC₈₀ 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 show that all the title compounds exhibited potent antifungal activities to a certain extent. The antifungal activity of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-(4-alkyloxyphenylpiperazin-1-yl)-2-propanols was more potent than that of 1-(1H,1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted sulfur ether-2-propanols in vitro. The antifungal activities of the four compounds in 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-(4-alkyloxyphenylpiperazin-1-yl)-2-propanols are more potent than that of fluconazole or equal to that of ketoconazole 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 C12H13F2N3O4S, HPLC of Formula: 86386-77-8.

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

Wang, Yue published the artcileNovel phosphorescent triptycene-based Ir(III) complexes for organic light-emitting diodes, Quality Control of 219508-27-7, the publication is Dalton Transactions (2019), 48(43), 16289-16297, database is CAplus and MEDLINE.

A series of charge-neutral cyclometalated iridium(III) complexes (1-3 and 5-7) containing triptycene-substituted ligands (tbt and tpbi) and two parent complexes (4 and 8) were synthesized and characterized. The crystal structures indicated that π-π stacking interactions existed in ligand tbtH, but not in complex 6. However, a large intramol. repulsion was found in complex 6. These triptycene-based complexes exhibited good thermal stability, which was higher compared with that of the parent complexes. These complexes showed green to yellow emission with peaks that ranged from 503 to 563 nm. The introduction of the rigid non-conjugate triptycene skeleton caused a slight emission red shift (<25 nm), but a significant increase in the PLQYs (>47%) was observed The electroluminescent devices employing 2 and 6 as phosphors displayed impressive performance improvements and low efficiency roll-off because of the higher PLQYs and HOMO levels of these triptycene-based complexes. The maximum current and external quantum efficiencies of the devices based on complexes 2 and 6 were 41.7 cd A^-1, 11.9% and 41.2 cd A^-1, 12.6%, resp., which were about 31% higher than that of the devices based on the parent complexes 4 and 8. This work provides a novel approach to develop highly efficient phosphors with a triptycene skeleton.

Dalton Transactions 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 C4Br2N2O4S, Quality Control of 219508-27-7.

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

Hu, Yong-Xu published the artcileNovel Ir(III) complexes ligated with 2-(2,6-difluoropyridin-3-yl)benzo[d]thiazole for highly efficient OLEDs with mild efficiency roll-off, HPLC of Formula: 219508-27-7, the publication is Dyes and Pigments (2019), 254-259, database is CAplus.

2-Phenylbenzothiazole-based Ir(III) complex [(bt)₂Ir(acac)] is a class of typical yellow phosphorescence material, which has been widely used in OLEDs. However, (bt)₂Ir(acac) exhibited only mild photoluminescence quantum efficiency (PLQY) of 0.26-0.28. To further improve the luminous efficiency of benzothiazole-based Ir(III) complex and then boost the corresponding electroluminescent performance, (fpbt)₂Ir(pic) and (fpbt)₂Ir(tftp) were successfully synthesized, where 2-(2,6-difluoropyridin-3-yl)benzo[d]thiazole (fpbt) was applied as C∩N main ligand, and 2-pyridine carboxylic acid (pic), 2-(3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)pyridine (tftp) acted as different auxiliary ligands. Both (fpbt)₂Ir(pic) and (fpbt)₂Ir(tftp) presented excellent PLQYs (0.93-0.95) and high thermostability (330-360 °C). The vacuum-deposited devices following the architecture of ITO/TAPC/CBP: dopant/TPBi/Liq/Al demonstrated prominent performances. Of them, (fpbt)₂Ir(pic)-doped OLEDs exhibited better efficiencies of 20.6%, 68.8 cd A^-1, and 40.8 l m W^-1 while maintaining very mild efficiency roll-off. Such outstanding electrophosphorescent performances were further investigated, which was probably attributed to the following factors: (1) high PLQY; (2) good electron mobility; (3) uniform film-forming property.

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, HPLC of Formula: 219508-27-7.

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