Day: November 28, 2022

Ponomareov, O. A. published the artcileNature of electronic transitions in absorption spectra of phenyl derivatives of 1,3,4-sym-triazole, Quality Control of 63598-71-0, the publication is Teoreticheskaya i Eksperimental’naya Khimiya (1993), 29(2), 169-73, database is CAplus.

The absorption spectra of 1,3,4-sym-triazole, its mono-, di-, and tri-Ph derivatives were calculated in π electron approach by PPP CI procedure. Application of the special quantum-chem. excitation indexes allows to classify transitions as being either local or entire mol. in character. The dependence of characteristics on π system structure for the latter case was studied.

Teoreticheskaya i Eksperimental’naya Khimiya 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, Quality Control of 63598-71-0.

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

Kostikova, L. M. published the artcileEnthalpy characteristics of mononitro derivatives heterocyclic compounds, Computed Properties of 84406-63-3, the publication is International Annual Conference of ICT (2002), 86/1-86/8, database is CAplus.

The enthalpies of formation in the standard condition and gas phase some mononitro derivatives heterocyclic compounds are exptl. determined The cleanliness of some compounds is measured by the method of the curve melting. The substances burnt in the solution of the di-Me phthalate for prevention of explosion and ensuring of completeness of combustion. The thermal effect of reaction of dissolution of substances in the di-Me phthalate is measured on the microcalorimeter and it was taken into account at calculation of the enthalpy of formation of the studied compounds Efficient energies of introduction nitro groups in the heterocycles are found. The change of the enthalpy of formation at introduction of electroneg. fragments to atoms of carbon and nitrogen is analyzed.

International Annual Conference of ICT 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

Sams, Anette Graven published the artcileHit-to-lead optimization of a series of carboxamides of ethyl 2-amino-4-phenylthiazole-5-carboxylates as novel adenosine A_2A receptor antagonists, COA of Formula: C25H29N9O3, the publication is Bioorganic & Medicinal Chemistry Letters (2010), 20(17), 5241-5244, database is CAplus and MEDLINE.

Herein we describe the discovery of a series of novel adenosine A_2A receptor antagonists. A successful hit-to-lead optimization of an HTS hit led to replacement of a metabolically labile ester moiety with a heteroaromatic group. A compound from the series, (cyclopropanecarboxylic acid [5-(5-methyl-[1,2,4]oxadiazol-3-yl)-4-phenyl-thiazol-2-yl]-amide, compound 13), was shown to be effective in reversing haloperidol-induced hypolocomotion, a model of motor dysfunction in Parkinson’s Disease.

Bioorganic & Medicinal Chemistry Letters 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, COA of Formula: C25H29N9O3.

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

Sams, Anette G. published the artcileDiscovery of Phosphoric Acid Mono-{2-[(E/Z)-4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-benzoylimino]-thiazol-3-ylmethyl} Ester (Lu AA47070): A Phosphonooxymethylene Prodrug of a Potent and Selective hA2A Receptor Antagonist, HPLC of Formula: 377727-87-2, the publication is Journal of Medicinal Chemistry (2011), 54(3), 751-764, database is CAplus and MEDLINE.

The discovery and structure-activity relationship of a series of hA_2A receptor antagonists is described. Compound 28 was selected from the series as a potent and selective compound and was shown to be efficacious in an in vivo model of Parkinson’s disease. It had acceptable ADME properties; however, the low intrinsic solubility of this compound was limiting for its developability, because the oral bioavailability from dosing in suspension was significantly lower than the oral bioavailability from solution dosage. As a consequence, prodrugs of 28 were prepared with dramatically increased aqueous solubility The prodrugs efficiently delivered 28 into systemic circulation, with no detectable levels of prodrug in plasma samples. From this investigation, we selected 32 (Lu AA47070), a phosphonooxymethylene prodrug of 28, as a drug candidate.

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, HPLC of Formula: 377727-87-2.

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

Zuniga-Ramirez, Carlos published the artcilePreladenant: an adenosine A_2A receptor antagonist for Parkinson’s disease, Category: triazoles, the publication is Future Neurology (2013), 8(6), 639-648, database is CAplus.

A review. Preladenant (SCH 420814) is a potent selective antagonist at the adenosine A_2A receptor that is being studied for treatment in early Parkinson’s disease (PD) as a monotherapy, and in moderate-to-severe PD as an add on to levodopa therapy. Unlike other drugs used for this disease, preladenant modulates adenosine action at the striatal level in order to block the inhibitory action of the basal ganglia output nuclei. Animal models of PD suggested that preladenant could be an effective treatment, which was further supported in a Phase II study of subjects with idiopathic PD who demonstrated a benefit in reducing off-time with an increase in on-time. In this article, we review current perspectives concerning pharmacol. approaches to PD, the pharmacol. properties of preladenant, its efficiency and safety, as well as the results reported for parkinsonian subjects treated with this drug.

Future Neurology 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 C20H19NO4, Category: triazoles.

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

Tao, Peng published the artcileHighly efficient thienylquinoline-based phosphorescent iridium(III) complexes for red and white organic light-emitting diodes, Formula: C8H5F3N4, the publication is Organic Electronics (2017), 293-301, database is CAplus.

Highly efficient 2-(thiophen-2-yl)quinoline-based phosphorescent iridium(III) complexes bearing 2-(3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)pyridine or picolinic acid as ancillary ligands are designed and synthetised. The variation of ancillary ligands is attempted to finely tune the photophys. properties of these complexes, especially the solution phosphorescent quantum yields (Φ_PL), full width at half maximum (FWHM), etc. The picolinic acid-based complex displays the slightly red-shifted dual-peak emission compared to triazolpyridine-based one. The complexes show bright emission with broad FWHM up to 83 nm, and the emissions are in red region with the very high absolute Φ_PL up to 0.76 in solution Moreover, high-performance red and three-color-based white organic light-emitting diodes (OLEDs) with excellent color stability have been fabricated. The maximum external quantum efficiencies of red and white OLEDs can reach 16.2% and 15.1%, resp. The maximum current efficiency and power efficiency of white OLED are as high as 35.5 cd A^-1 and 34.0 lm W^-1, resp. Especially, the designed white OLED exhibits excellent spectral stability under wide operating voltage range, and the 1931 Commission Internationale de L’Eclairage of white OLED only changes from (0.43, 0.42) to (0.44, 0.44), the color rendering index is in a narrow range of 75-77.

Organic Electronics 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 C15H21BO3, Formula: C8H5F3N4.

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

Shainyan, B. A. published the artcileTriflamidomethyl and oxymethyl derivatives of 1,2,3-triazoles, Name: 5-Nitro-1H-1,2,3-triazole, the publication is Russian Journal of General Chemistry (2015), 85(10), 2309-2312, database is CAplus.

The reactions of some 1,2,3-triazoles with formaldehyde and triflamide have been studied. N-(Hydroxy-methyl)-2-phenyl-2H-1,2,3-triazole-4-carboxamide reacted with triflamide in sulfuric acid to afford 2-phenyl-2H-1,2,3-triazole-4-carboxamide, bis(triflamido)methane, and N,N-bis[(trifluoromethylsulfonyl)aminomethyl]-triflamide. In the presence of K₂CO₃, 4-amino-5-nitro-2-ethyl-1,2,3-triazole was reduced with hydrazine hydrate to 2-ethyl-2H-1,2,3-triazole-4,5-diamine, and with formaldehyde in the presence of K₂CO₃, it resulted in N,N-bis(2-ethyl-5-nitro-2H-1,2,3-triaxol-4-yl)methanediamine, which reacted with paraformaldehyde under acidic conditions with the formation of 4-aminomethyl-5-nitro-2-ethyl-1,2,3-triazole.

Russian Journal of General Chemistry 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 C14H28O5S, Name: 5-Nitro-1H-1,2,3-triazole.

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

Guney, Emre published the artcileNetwork-based in silico drug efficacy screening, HPLC of Formula: 377727-87-2, the publication is Nature Communications (2016), 10331, database is CAplus and MEDLINE.

The increasing cost of drug development together with a significant drop in the number of new drug approvals raises the need for innovative approaches for target identification and efficacy prediction. Here, we take advantage of our increasing understanding of the network-based origins of diseases to introduce a drug-disease proximity measure that quantifies the interplay between drugs targets and diseases. By correcting for the known biases of the interactome, proximity helps us uncover the therapeutic effect of drugs, as well as to distinguish palliative from effective treatments. Our anal. of 238 drugs used in 78 diseases indicates that the therapeutic effect of drugs is localized in a small network neighborhood of the disease genes and highlights efficacy issues for drugs used in Parkinson and several inflammatory disorders. Finally, network-based proximity allows us to predict novel drug-disease associations that offer unprecedented opportunities for drug repurposing and the detection of adverse effects.

Nature Communications 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, HPLC of Formula: 377727-87-2.

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

Tong, Bi-hai published the artcileHigh-brightness solution-processed phosphorescent OLEDs with pyrimidine-based iridium(III) complexes, Category: triazoles, the publication is RSC Advances (2016), 6(41), 34970-34976, database is CAplus.

Two heteroleptic cyclometalated iridium(III) complexes, Ir(ppm)₂(pic) and Ir(ppm)₂(taz), using 4,6-di-Ph pyrimidine (Hppm) as a cyclometalating ligand, were successfully synthesized and characterized. Strong emission at 555 and 532 nm with high photoluminescence quantum yields of 83% and 86% in PMMA at 298 k were obtained for Ir(ppm)₂(pic) and Ir(ppm)₂(taz), resp. Solution-processed organic light-emitting diodes (OLEDs) based on Ir(ppm)₂(pic) and Ir(ppm)₂(taz) showed high-brightness of 112 233 and 125 072 cd m^-2, peak current efficiencies of 30.6 and 40.4 cd A^-1 and maximum external quantum efficiencies of 10.4 and 17.3%, resp., accompanied by very low efficiency roll-off values. The ancillary ligand taz tuned the emission to saturated green, and more importantly, it can significantly increase the spectral stability and device efficiency.

RSC Advances 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 C10H16O2, Category: triazoles.

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

Pryde, David C. published the artcileNovel Selective Inhibitors of Neutral Endopeptidase for the Treatment of Female Sexual Arousal Disorder. Synthesis and Activity of Functionalized Glutaramides, Application In Synthesis of 14544-45-7, the publication is Journal of Medicinal Chemistry (2006), 49(14), 4409-4424, database is CAplus and MEDLINE.

Female sexual arousal disorder (FSAD) is a highly prevalent sexual disorder affecting up to 40% of women. Efforts to identify a selective neutral endopeptidase (NEP) inhibitor as a potential treatment for FSAD are reported. The rationale for this approach, together with a description of the medicinal chem. strategy, lead compounds, and SAR investigations are detailed. In particular, the strategy of starting with the clin. precedented selective NEP inhibitor, Candoxatrilat, and targeting low mol. weight and relatively polar mono-carboxylic acids is described. This led ultimately to the prototype development candidate I, for which detailed pharmacol. and pharmacokinetic parameters are presented.

Journal of Medicinal Chemistry 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, Application In Synthesis of 14544-45-7.

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