Category: Triazoles

Yu, Shichong published the artcileSynthesis and antifungal activity of the novel triazole compounds, Recommanded Product: 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, the publication is MedChemComm (2013), 4(4), 704-708, database is CAplus.

A series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols which are analogs of fluconazole, were designed and synthesized for the first time by the click reaction 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 HRMS. The in vitro antifungal activities of all the target compounds were evaluated against eight human pathogenic fungi.

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 C8H9NOS, 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

Lin, Cheng-Huei published the artcileIridium(III) Complexes of a Dicyclometalated Phosphite Tripod Ligand: Strategy to Achieve Blue Phosphorescence Without Fluorine Substituents and Fabrication of OLEDs, SDS of cas: 219508-27-7, the publication is Angewandte Chemie, International Edition (2011), 50(14), 3182-3186, S3182/1-S3182/20, database is CAplus and MEDLINE.

The authors report a 1-pot synthetic route to obtain new blue phosphors without F substituents. The mols. were assembled using dicyclometalated phosphite (or phosphonite) tripod, coupled with 2-pyridyl triazolate chromophore and a monodentate phosphorous donor. Exploiting one of the products as a paradigm, the outstanding performance includes: peak efficiencies of 11.0% , 22.3 cd A-¹, and 16.7 lm W^-1, together with a turn-on voltage of 4.1 V and blue chromaticity CIE_x,y = 0.179, 0.286 recorded at 100 cd m-2. The terdentate PC̅₂ not only stabilizes the phosphors, its saturated nature also simplifies the color tuning strategy, as evidence by the outstanding performance of another product toward better maximum luminescence and blue chromaticity with slight sacrifice on the peak efficiency. The results thus reveal a great potential of both PC̅₂ and pyridyl azolate chelates in the preparation of blue-emitting phosphors.

Angewandte Chemie, International Edition 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, SDS of cas: 219508-27-7.

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

Snyder, Christopher J. published the artcileSimple and Efficient Synthesis of Explosive Cocrystals containing 3,5-Dimethylpyrazol-1-yl-substituted-1,2,4,5-tetrazines, HPLC of Formula: 84406-63-3, the publication is Chemistry – A European Journal (2017), 23(65), 16466-16471, database is CAplus and MEDLINE.

The reaction of 3,4-dinitropyrazole, 5-nitrotetrazole, or 4-nitro-1,2,3-triazole with 1,2,4,5-tetrazines substituted with 3,5-dimethylpyrazolyl (dmp) groups results in energetic cocrystals after 1 min of reflux and cooling to room temperature in yields of 89-92 %. Hydrogen-bonding between the dmp group to the N-H of the energetic heterocycles are the predominant interaction that stabilizes the new cocrystals. Each cocrystal packs in a different lattice structure and the cocrystals with sheet-like and herring-bone crystal packing orientations are less sensitive than the cocrystal with the interlocked structure. Electrostatic potential mapping helps rationalize why dmp-substituted tetrazines readily form cocrystals, whereas more electron-deficient pyrazolyl tetrazines do not. The calculated energetic performance of the new cocrystals approaches that of 2,4,6-trinitrotoluene (TNT) and importantly, these materials will aid in the rational design of new cocryst. energetic materials.

Chemistry – A European Journal 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 C13H19BO4S, HPLC of Formula: 84406-63-3.

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

Sheng, Chunquan published the artcileDesign and synthesis of novel triazole antifungal derivatives by structure-based bioisosterism, Computed Properties of 86386-77-8, the publication is European Journal of Medicinal Chemistry (2011), 46(11), 5276-5282, database is CAplus and MEDLINE.

The incidence of life-threatening fungal infections is increasing dramatically. In an attempt to develop novel antifungal agents, our previously synthesized phenoxyalkylpiperazine triazole derivatives were used as lead structures for further optimization. By means of structure-based bioisosterism, triazolone was used as a new bioisostere of oxygen atom. This type of bioisosteric replacement can improve the water solubility without loss of hydrogen-bonding interaction with the target enzyme. A series of triazolone-containing triazoles were rationally designed and synthesized. As compared with fluconazole, several compounds showed higher antifungal activity with broader spectrum, suggesting their potential for further evaluations.

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 C9H8BNO2, Computed Properties of 86386-77-8.

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

Hwang, Fu-Ming published the artcileIridium(III) Complexes with Orthometalated Quinoxaline Ligands: Subtle Tuning of Emission to the Saturated Red Color, Category: triazoles, the publication is Inorganic Chemistry (2005), 44(5), 1344-1353, database is CAplus and MEDLINE.

Rational design and syntheses of four Ir complexes bearing two substituted quinoxalines and an addnl. 5-(2-pyridyl)pyrazolate or -triazolate as the 3rd coordinating ligand are reported. Single-crystal x-ray diffraction studies of [(dpqx)₂Ir(fppz)] [1; dpqxH = 2,3-diphenylquinoxaline; fppzH = 3-(trifluoromethyl)-5-(2-pyridyl)pyrazole] reveal a distorted octahedral geometry, in which two dpqx ligands adopt an eclipsed configuration, for which the quinoxaline N atoms and the C atoms of orthometalated Ph groups are located at the mutual trans- and cis-positions, resp. The lowest absorption band for all complexes consists of a mixture of heavy-atom Ir(III)-enhanced ³MLCT and ³ππ^* transitions, and the phosphorescent peak wavelength can be fine-tuned to cover the spectral range of 622-649 nm with high quantum efficiencies. The cyclic voltammetry was measured, showing a reversible, metal-centered oxidation with potentials at 0.76-1.03 V, as well as two reversible reduction waves with potentials ranging from -1.61 to -2.06 V, attributed to the sequential addition of two electrons to the more electron-accepting heterocyclic portion of two distinctive cyclometalated CN̂ ligands. Complex 1 was used as a representative example to fabricate red-emitting PLEDs by blending it into a PVK-PBD polymer mixture The devices exhibited the characteristic emission profile of 1 with peak maxima located at 640 nm. The maximum external quantum efficiency was 3.15% ph/el with a brightness of 1751 cd/m² at a c.d. of 67.4 mA/cm², and the maximum brightness of 7750 cd/m² was achieved at the applied voltage of 21 V and with CIE coordinates of (0.64, 0.31).

Inorganic 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, Category: triazoles.

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

Li, Xiaohong published the artcileDensity Functional Theory Study of Several Nitrotriazole Derivatives, SDS of cas: 84406-63-3, the publication is Journal of Energetic Materials (2010), 28(4), 251-272, database is CAplus.

Quantum chem. calculations at B3LYP/6-31G* and B3P86/6-31G* levels are used to predict the bond dissociation energies (BDEs) of seven nitrotriazole derivatives It is noted that the BDEs of the initial scission step are between 44 and 70 kcal/mol, which are larger than those of piperidine and diazocine compounds and polynitro benzoate mols. In addition, substituent groups greatly affect the bond dissociation energies of the title compounds The heats of formation (HOFs) for seven energetic materials are also calculated via designed isodesmic reactions. From computational results it is noted that substituent groups strongly affect the HOFs. The research demonstrated that the HOF of the compound substituted by a five-membered ring is larger than those substituted by a six-membered ring for 1,2,4-triazole. The detonation performance data of the title compounds are also calculated according to the HOFs calculated by B3LYP/6-31G* level.

Journal of Energetic 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, SDS of cas: 84406-63-3.

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

Du, Juan-juan published the artcileCurrent nondopaminergic therapeutic options for motor symptoms of Parkinson′s disease, Safety of 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, the publication is Chinese Medical Journal (Beijing, China, English Edition) (2017), 130(15), 1856-1866, database is CAplus and MEDLINE.

The aim of this study was to summarize recent studies on nondopaminergic options for the treatment of motor symptoms in Parkinson′s disease (PD). Papers in English published in PubMed, Cochrane, and Ovid Nursing databases between Jan. 1988 and Nov. 2016 were searched using the following keywords: PD, nondopaminergic therapy, adenosine, glutamatergic, adrenergic, serotoninergic, histaminic, and iron chelator. We also reviewed the ongoing clin. trials in the website of clinicaltrials.gov. Articles related to the nondopaminergic treatment of motor symptoms in PD were selected for this review. PD is conventionally treated with dopamine replacement strategies, which are effective in the early stages of PD. Long-term use of levodopa could result in motor complications. Recent studies revealed that nondopaminergic systems such as adenosine, glutamatergic, adrenergic, serotoninergic, histaminic, and iron chelator pathways could include potential therapeutic targets for motor symptoms, including motor fluctuations, levodopa-induced dyskinesia, and gait disorders. Some nondopaminergic drugs, such as istradefylline and amantadine, are currently used clin., while most such drugs are in preclin. testing stages. Transitioning of these agents into clin. beneficial strategies requires reliable evaluation since several agents have failed to show consistent results despite pos. findings at the preclin. level. Targeting nondopaminergic transmission could improve some motor symptoms in PD, especially the discomfort of dyskinesia. Although nondopaminergic treatments show great potential in PD treatment as an adjunct therapy to levodopa, further investigation is required to ensure their success.

Chinese Medical Journal (Beijing, China, English Edition) 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 C25H29N9O3, Safety of 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.

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

Hagenow, Stefanie published the artcileAdenosine A_2AR/A₁R Antagonists Enabling Additional H₃R Antagonism for the Treatment of Parkinson’s Disease, Synthetic Route of 377727-87-2, the publication is Journal of Medicinal Chemistry (2021), 64(12), 8246-8262, database is CAplus and MEDLINE.

Adenosine A₁/A_2A receptors (A₁R/A_2AR) represent targets in nondopaminergic treatment of motor disorders such as Parkinson’s disease (PD). As an innovative strategy, multitargeting ligands (MTLs) were developed to achieve comprehensive PD therapies simultaneously addressing comorbid symptoms such as sleep disruption. Recognizing the wake-promoting capacity of histamine H₃ receptor (H₃R) antagonists in combination with the “caffeine-like effects” of A₁R/A_2AR antagonists, we designed A₁R/A_2AR/H₃R MTLs, where a piperidino-/pyrrolidino(propyloxy)phenyl H₃R pharmacophore was introduced with overlap into an adenosine antagonist arylindenopyrimidine core. These MTLs showed distinct receptor binding profiles with overall nanomolar H₃R affinities (K_i < 55 nM). Compound 4 (ST-2001, K_i (A₁R) = 11.5 nM, K_i (A_2AR) = 7.25 nM) (I) and 12 (ST-1992, K_i (A₁R) = 11.2 nM, K_i (A_2AR) = 4.01 nM) (II) were evaluated in vivo. L-DOPA-induced dyskinesia was improved after administration of compound 4 (1 mg kg^-1, i.p. rats). Compound 12 (2 mg kg^-1, p.o. mice) increased wakefulness representing novel pharmacol. tools for PD therapy.

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 C25H29N9O3, Synthetic Route of 377727-87-2.

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

El-Faham, Ayman published the artcileNovel proton acceptor immonium-type coupling reagents: Application in solution and solid-phase peptide synthesis, Product Details of C13H17ClF6N5O2P, the publication is Organic Letters (2007), 9(22), 4475-4477, database is CAplus and MEDLINE.

A novel proton acceptor coupling reagent (I) (X = CH, N; R¹ = H, Cl) in a form of PF₆^– salt shows superiority to those described previously. The oxygen in the carbocation moiety confers more solubility to the reagent. Furthermore, it enhances coupling yields and decreases racemization, allowing the use of 1 equiv of base.

Organic Letters published new progress about 1082951-62-9. 1082951-62-9 belongs to triazoles, auxiliary class Active Esterification, name is 5-Chloro-1-((dimethyliminio)(morpholino)methyl)-1H-benzo[d][1,2,3]triazole 3-oxide hexafluorophosphate(V), and the molecular formula is C13H17ClF6N5O2P, Product Details of C13H17ClF6N5O2P.

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

Zhukov, Andrei published the artcileBiophysical Mapping of the Adenosine A_2A Receptor, Related Products of triazoles, the publication is Journal of Medicinal Chemistry (2011), 54(13), 4312-4323, database is CAplus and MEDLINE.

A new approach to generating information on ligand receptor interactions within the binding pocket of G protein-coupled receptors has been developed, called Biophys. Mapping (BPM). Starting from a stabilized receptor (StaR), minimally engineered for thermostability, addnl. single mutations are then added at positions that could be involved in small mol. interactions. The StaR and a panel of binding site mutants are captured onto Biacore chips to enable characterization of the binding of small mol. ligands using surface plasmon resonance (SPR) measurement. A matrix of binding data for a set of ligands vs. each active site mutation is then generated, providing specific affinity and kinetic information (K_D, k_on, and k_off) of receptor-ligand interactions. This data set, in combination with mol. modeling and docking, is used to map the small mol. binding site for each class of compounds Taken together, the many constraints provided by these data identify key protein-ligand interactions and allow the shape of the site to be refined to produce a high quality three-dimensional picture of ligand binding, thereby facilitating structure based drug design. Results of biophys. mapping of the adenosine A_2A receptor are presented.

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 C25H47NO8, Related Products of triazoles.

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