Day: November 21, 2022

Licht, H. H. published the artcileNitrotriazoles. Chemical structure and explosive properties, Related Products of triazoles, the publication is International Annual Conference of ICT (1998), 47.1-47.15, database is CAplus.

The structure of 19 nitrotriazoles was studied (7 compounds were prepared for the 1st time) to determine the influence of chem. structures on the explosive properties. The anal. procedures are very expensive because of tautomerism and isomerism. The determination of explosive properties yielded striking differences. There were insensitive high explosives and compounds which proved to be primary explosives.

International Annual Conference of ICT published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Related Products of triazoles.

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

Navarro, Gemma published the artcilePurinergic signaling in Parkinson’s disease. Relevance for treatment, 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 Neuropharmacology (2016), 161-168, database is CAplus and MEDLINE.

A review. Purinergic signaling modulates dopaminergic neurotransmission in health and disease. Classically adenosine A₁ and A_2A receptors have been considered key for the fine tune control of dopamine actions in the striatum, the main CNS motor control center. The main adenosine signaling mechanism is via the cAMP pathway but the future will tell whether calcium signaling is relevant in adenosinergic control of striatal function. Very relevant is the recent approval in Japan of the adenosine A_2A receptor antagonist, istradefylline, for use in Parkinson’s disease patients. Purine nucleotides are also regulators of striatal dopamine neurotransmission via P2 purinergic receptors. In parallel to the alpha-synuclein hypothesis of Parkinson’s disease etiol., purinergic P2X₁ receptors have been identified as mediators of accumulation of the Lewy-body enriched protein alpha-synuclein. Of note is the expression in striatum of purinergic-receptor-containing heteromers that are potential targets of anti-Parkinson’s disease therapies and should be taken into account in drug discovery programs.

Neuropharmacology 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

Hesk, D. published the artcileSynthesis of ³H, ²H₄, and ¹⁴C-MK 3814 (preladenant), Application 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 Journal of Labelled Compounds and Radiopharmaceuticals (2017), 60(4), 194-199, database is CAplus and MEDLINE.

MK 3814 is a potent and selective antagonist of the A_2a receptor. A_2a receptor antagonists have the potential for the treatment of Parkinson disease. Three distinct isotopically labeled forms of MK 3814 were synthesized. [³H]MK 3814 was prepared for a preliminary absorption, distribution, metabolism, and excretion data (ADME) evaluation of the compound and [¹⁴C]MK 3814 for more definitive ADME work, including an absorption, metabolism, and excretion study in man. In addition, [²H₄]MK 3814 was prepared as an internal standard for a liquid chromatog. mass spectrometry bioanal. method. This paper discusses the synthesis of 3 isotopically labeled forms of MK 3814.

Journal of Labelled Compounds and Radiopharmaceuticals 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, Application 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

Mazzone, G. published the artcileReactivity of 3-aryl-4-amino-5-mercapto-4H-1,2,4-triazoles: synthesis and biological evaluation of 3,6-diaryl derivatives of 7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine, 3-aryl-4-amino-5-carboxymethylthio-4H-1,2,4-triazoles and some 3-aryl-4H-1,2,4-triazoles, Recommanded Product: 4H-1,2,4-Triazole, the publication is Farmaco, Edizione Scientifica (1987), 42(7), 525-39, database is CAplus and MEDLINE.

Thirty-eight compounds belonging to the various title groups were synthesized and were tested for antimicrobial activity in vitro and for various pharmacol. properties in vivo. The carboxymethylthiotriazoles had weak anti-inflammatory activity and a more consistent superoxide-scavenging effect. The triazolothiadiazine and triazole derivatives had moderate antifungal properties. Some structure-activity relations are discussed.

Farmaco, Edizione Scientifica published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, Recommanded Product: 4H-1,2,4-Triazole.

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

Kaltenbach, Linda S. published the artcileComposite primary neuronal high-content screening assay for Huntington’s disease incorporating non-cell-autonomous interactions, Related Products of triazoles, the publication is Journal of Biomolecular Screening (2010), 15(7), 806-819, database is CAplus and MEDLINE.

Huntington’s disease (HD) is a fatal neurodegenerative disease characterized by progressive cognitive, behavioral, and motor deficits and caused by expansion of a polyglutamine repeat in the Huntingtin protein (Htt). Despite its monogenic nature, HD pathogenesis includes obligatory non-cell-autonomous pathways involving both the cortex and the striatum, and therefore effective recapitulation of relevant HD disease pathways in cell lines and primary neuronal monocultures is intrinsically limited. To address this, the authors developed an automated high-content imaging screen in high-d. primary cultures of cortical and striatal neurons together with supporting glial cells. Cortical and striatal neurons are transfected sep. with different fluorescent protein markers such that image-based high-content anal. can be used to assay these neuronal populations sep. but still supporting their intercellular interactions, including abundant synaptic interconnectivity. This assay was reduced to practice using transfection of a mutant N-terminal Htt domain and validated via a screen of ∼400 selected small mols. Both expected as well as novel candidate targets for HD emerged from this screen; of particular interest were target classes with close relative proximity to clin. testing. These findings suggest that composite primary cultures incorporating increased levels of biol. complexity can be used for high-content imaging and “high-context” screening to represent mol. targets that otherwise may be operant only in the complex tissue environment found in vivo during disease pathogenesis.

Journal of Biomolecular Screening 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, Related Products of triazoles.

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

Zhou, Xiaoyun published the artcileIn vivo evaluation of 11C-preladenant for PET imaging of adenosine A2A receptors in the conscious monkey, Quality Control of 377727-87-2, the publication is Journal of Nuclear Medicine (2017), 58(5), 762-768, database is CAplus and MEDLINE.

Regional uptake of 11C-preladenant was consistent with the distribution of A2ARs in the monkey brain, with the highest uptake in the putamen, followed by the caudate, and the lowest uptake in the cerebellum. Tracer kinetics were well described by the 2-tissue-compartment model with a lower constraint on k4 to stabilize fits. The highest VT was observed in A2AR-rich regions (∼5.8-7.4) and lowest value in the cerebellum (∼1.3). BPND values estimated from the SRTM with different scan durations were comparable and were in agreement with DVR-1 (∼4.3-5.3 in A2AR-rich regions). Preladenant preinjection decreased the tracer uptake in A2AR-rich regions to the level of the reference regions. Caffeine pretreatment reduced the tracer uptake in the striatum in a dose-dependent manner. 11C-preladenant PET is suitable for noninvasive quantification of A2ARs and assessment of A2AR occupancy in A2AR-rich regions in the monkey brain. SRTM using the cerebellum as the reference tissue is the applicable model for A2AR quantification.

Journal of Nuclear Medicine 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 C13H12BClO3, Quality Control of 377727-87-2.

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

Xu, Liang-Zhong published the artcileSynthesis, crystal structure, and biological activities of 1-((5-(4-(4-chlorophenoxy)-2-chlorophenyl)-2,2,3-trimethyloxazolidin-5-yl)methyl)-1H-1,2,4-triazole, Computed Properties of 136815-80-0, the publication is Chinese Journal of Structural Chemistry (2008), 27(11), 1365-1369, database is CAplus.

The title compound 1-((5-(4-(4-chlorophenoxy)-2-chlorophenyl)-2,2,3-trimethyl-oxazolidin-5-yl) methyl)-1H-1,2,4-triazole (C₂₁H₂₂Cl₂N₄O₂) was synthesized and characterized by elemental anal., IR, ¹H NMR, MS and single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1̅ with a = 6.891(2), b = 9.074(2), c = 18.258(4) Å, α = 99.292(4), β = 95.105(4), γ = 108.068(3)°, C₂₁H₂₂Cl₂N₄O₂, M_r = 433.33, V = 1059.3(4) ų, Z = 2, D_c = 1.359 g/cm³, F(000) = 452, μ = 0.331 mm^-1, the final R = 0.0448 and wR = 0.0994 for 3727 unique reflections. The dihedral angle between the oxazolidine ring taking an envelope conformation with a local pseudo-mirror and the triazole ring is 27.7(9)°. Weak intermol. C-H…N hydrogen bonds and π-π interactions exist between the triazole rings of neighboring mols., forming a three-dimensional network, which stabilizes the crystal structure. The primary biol. test shows the target compound has certain fungicidal activity.

Chinese Journal of Structural 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 C10H18O4, Computed Properties of 136815-80-0.

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

Palmer, M. H. published the artcileAssignment of the UV photoelectron spectra of the azoles by ab initio multi-reference configuration interaction calculations, Application of 4H-1,2,4-Triazole, the publication is Chemical Physics (1987), 111(2), 249-61, database is CAplus.

Ab initio multiref. CI calculations were performed on pyrrole, pyrazole, imidazole, each of the triazoles, and tetrazole. The tautomerism of these species is discussed, and the UPS were reinterpreted in the light of the CI data. Many shake-up states were evident ≳14 eV; these can cause difficulties in the positioning of LP_N states by CI methods.

Chemical Physics published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, Application of 4H-1,2,4-Triazole.

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

Hodgson, Robert A. published the artcileCharacterization of the potent and highly selective A_2A receptor antagonists preladenant and SCH 412348 [7-[2-[4-2,4-difluorophenyl]-1-piperazinyl]ethyl]-2-(2-furanyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine] in rodent models of movement disorders and depression, Name: 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 Journal of Pharmacology and Experimental Therapeutics (2009), 330(1), 294-303, database is CAplus and MEDLINE.

The adenosine A_2A receptor has been implicated in the underlying biol. of various neurol. and psychiatric disorders, including Parkinson’s disease (PD) and depression. Preladenant and SCH 412348 [7-[2-[4-2,4-difluorophenyl]-1-piperazinyl]ethyl]-2-(2-furanyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine] are potent competitive antagonists of the human A_2A receptor (K_i = 1.1 and 0.6 nM, resp.) and have > 1000-fold selectivity over all other adenosine receptors, making these compounds the most selective A_2A receptor antagonists reported to date. Both compounds attenuate hypolocomotion induced by the A_2A receptor agonist CGS-21680 [2-[p-(2-carboxyethyl)phenethylamino]-5′-N-ethylcarboxamidoadenosine], suggesting that they inhibit A_2A receptor activity in vivo. Their high degree of selectivity and robust in vivo activity make preladenant and SCH 412348 useful tools to investigate the role of the A_2A receptor system in animal models of PD and depression. Oral administration of preladenant and SCH 412348 (0.1-1 mg/kg) to rats potentiated 3,4-dihydroxy-L-phenylalanine (L-Dopa)-induced contralateral rotations after 6-hydroxydopamine lesions in the medial forebrain bundle and potently attenuated the cataleptic effects of haloperidol. Preladenant (1 mg/kg) inhibited L-Dopa-induced behavioral sensitization after repeated daily administration, which suggests a reduced risk of the development of dyskinesias. Finally, preladenant and SCH 412348 exhibited antidepressant-like profiles in models of behavioral despair, namely the mouse tail suspension test and the mouse and rat forced swim test. These studies demonstrate that preladenant and SCH 412348 are potent and selective A_2A receptor antagonists and provide further evidence of the potential therapeutic benefits of A_2A receptor inhibition in PD (with reduced risk of dyskinesias) and depression (one of the primary nonmotor symptoms of PD).

Journal of Pharmacology and Experimental Therapeutics 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, Name: 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

Dahmani, R. published the artcileInsights on the interaction of Zn^2 + cation with triazoles: Structures, bonding, electronic excitation and applications, Recommanded Product: 4H-1,2,4-Triazole, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2018), 375-384, database is CAplus and MEDLINE.

At present, we investigate the structures, the stability, the bonding and the spectroscopy of the Zn²⁺-triazole complexes (Zn²⁺-Tz), which are subunits of triazolate based porous materials and Zn-enzymes. This theor. work is performed using ab initio methods and d. functional theory (DFT) where dispersion correction is included. Through these benchmarks, we establish the ability and reliability of M05-2X + D3 and PBE0 + D3 functionals for the correct description of Zn²⁺-Tz bond since these DFTs lead to close agreement with post Hartree-Fock methods. Therefore, M05-2X + D3 and PBE0 + D3 functionals are recommended for the characterization of larger organometallic complexes formed by Zn and N-rich linkers. For Zn²⁺-Tz, we found two stable σ-type complexes: (i) a planar structure where Zn²⁺ links to unprotonated nitrogen and (ii) an out-of-plane cluster where carbon interacts with Zn²⁺. The most stable isomers consist on a coordinated covalent bond between the lone pair of unprotonated nitrogen and the vacant 4s orbital of Zn²⁺. The roles of covalent interactions within these complexes are discussed after vibrational, NBO, NPA charges and orbital analyses. The bonding is dominated by charge transfer from Zn²⁺ to Tz and intramol. charge transfer, which plays a vital role for the catalytic activity of these complexes. These findings are important to understand, at the microscopic level, the structure and the bonding within triazolate based macromol. porous materials and Zn-enzymes.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, Recommanded Product: 4H-1,2,4-Triazole.

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