Day: December 6, 2022

Wu, Shanchao published the artcileFrom Antidiabetic to Antifungal: Discovery of Highly Potent Triazole-Thiazolidinedione Hybrids as Novel Antifungal Agents, Quality Control of 86386-77-8, the publication is ChemMedChem (2014), 9(12), 2639-2646, database is CAplus and MEDLINE.

In an attempt to discover a new generation of triazole antifungal agents, a series of triazole-thiazolidinedione hybrids I [R = Ph, 2-BrC₆H₄, 4-ClC₆H₄, etc.] were designed and synthesized by mol. hybridization of the antifungal agent fluconazole and rosiglitazone (an antidiabetic). Most of the target compounds showed good to excellent inhibitory activity against a variety of clin. important fungal pathogens. In particular, compounds I [R = 2,4-Cl₂C₆H₃], I [R = 2-furyl], I [R = 3-furyl] were highly active against Candida albicans, with MIC₈₀ values in the range of 0.03-0.15 μΜ. Moreover, the last two compounds compounds were found to be effective against four fluconazole-resistant clin. isolates; these two compounds are particularly promising antifungal leads for further optimization. Mol. docking studies revealed that the hydrogen bonding interactions between thiazolidinedione and CYP51 from C. albicans are important for antifungal activity. This study also demonstrates the effectiveness of mol. hybridization in antifungal drug discovery.

ChemMedChem 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 C11H8O3, Quality Control of 86386-77-8.

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

Du, Zhiming published the artcile4,5-Bis(5-tetrazolyl)-1,2,3-triazole: Synthesis and Performance, Application of 1H-1,2,3-Triazole-4,5-dicarbonitrile, the publication is Propellants, Explosives, Pyrotechnics (2015), 40(6), 954-959, database is CAplus.

4,5-Bis(5-tetrazolyl)-1,2,3-triazole (BTT) was synthesized by a new method. Its structure was characterized by IR and ¹³C NMR spectroscopy and elemental anal. (EA). The thermal stability of BTT was investigated by TG-DSC technique. The kinetic parameters including activation energy and pro-exponential factor were calculated by Kissinger equation. The combustion heat, detonation products, hygroscopicity, impact, and friction sensitivity were also measured. The formation heat, detonation pressure, and detonation velocity of BTT were calculated BTT has high detonation pressure and detonation velocity (P=35.36 GPa, D=8.971 km s^-1). BTT has potential application prospect as environmentally friendly gas generant, insensitive explosive and solid propellant.

Propellants, Explosives, Pyrotechnics 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, Application of 1H-1,2,3-Triazole-4,5-dicarbonitrile.

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

Zheng, Jiyue published the artcileDevelopment of Adenosine A_2A Receptor Antagonists for the Treatment of Parkinson’s Disease: A Recent Update and Challenge, Related Products of triazoles, the publication is ACS Chemical Neuroscience (2019), 10(2), 783-791, database is CAplus and MEDLINE.

A review. Parkinson’s disease (PD) is a neurodegenerative disease with significant unmet medical needs. The current dopamine-centered treatments aim to restore motor functions of patients without slowing the disease progression. Long-term usage of these drugs is associated with diminished efficacy, motor fluctuation, and dyskinesia. Furthermore, the nonmotor features associated with PD such as sleep disorder, pain, and psychiatric symptoms are poorly addressed by the dopaminergic treatments. Adenosine receptor A_2A antagonists have emerged as potential treatment for PD in the past decade. Here we summarize the recent work (2015-2018) on adenosine receptor A_2A antagonists and discuss the challenge and opportunity for the treatment of PD.

ACS Chemical Neuroscience 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 C12H14BNO2, Related Products of triazoles.

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

Slee, Deborah H. published the artcileIdentification of Novel, Water-Soluble, 2-Amino-N-pyrimidin-4-yl Acetamides as A_2A Receptor Antagonists with In Vivo Efficacy, Computed Properties of 377727-87-2, the publication is Journal of Medicinal Chemistry (2008), 51(3), 400-406, database is CAplus and MEDLINE.

Potent adenosine hA_2A receptor antagonists are often accompanied by poor aqueous solubility, which presents issues for drug development. Herein we describe the early exploration of the structure-activity relationships of a lead pyrimidin-4-yl acetamide series to provide potent and selective 2-amino-N-pyrimidin-4-yl acetamides as hA_2A receptor antagonists with excellent aqueous solubility In addition, this series of compounds has demonstrated good bioavailability and in vivo efficacy in a rodent model of Parkinson’s disease, despite having reduced potency for the rat A_2A receptor vs. the human A_2A receptor.

Journal of Medicinal Chemistry 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 C24H26ClNO4, Computed Properties of 377727-87-2.

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

Sun, Qing-Yan published the artcileSynthesis and evaluation of novel 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-[(4-substituted-phenyl)piperazin-1-yl]propan-2-ols as antifungal agents, Formula: C12H13F2N3O4S, the publication is European Journal of Medicinal Chemistry (2007), 42(8), 1151-1157, database is CAplus and MEDLINE.

1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-[(4-substituted-phenyl)piperazin-1-yl]propan-2-ols such as I were designed and synthesized from the structure-activity relations and antimycotic mechanism of azole antifungal agents. Their structures were confirmed by elemental anal., IR, MS, ¹H NMR and ¹³C NMR. Results of preliminary antifungal tests against six human pathogenic fungi (Candida albicans, Candida parapsilosis, Cryptococcus neoformans, Candida tropicalis, inherently fluconazole-resistant Candida krusei, Candida glabrata) in vitro showed that all title compounds exhibited activity against fungi tested to some extent except against C. tropicalis.

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 C7H10BNO4S, Formula: C12H13F2N3O4S.

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-(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