Month: December 2022

Gao, Tong published the artcileMechanochemical synthesis of three-component metal-organic frameworks for large scale production, Category: isoquinoline, the main research area is zinc amino triazolate isophthalate MOF mechanochem preparation gas adsorption; XPS zinc amino triazolate isophthalate MOF.

Two pillared-layer metal-organic frameworks with pcu network were synthesized by the mechanochem. reaction of three components (ZnO, 3-amino-1,2,4-triazole (Hatz) or 3,5-diamino-1,2,4-triazole (Hdatz), and isophthalic acid (H2ipa)) at room temperature with space-time yield up to 4800 kgm-3 day-1. The mechanochem.-synthesized [Zn2(atz)2(ipa)] (Zn-atz-ipa) and [Zn2(datz)2(ipa)] (Zn-datz-ipa) exhibit the high purity and porosity with BET surface areas of 655 and 572 m2g-1, resp., which are comparable with those synthesized by the traditional solvothermal method. In C2H4/C2H6 (volume/volume = 1/1) breakthrough experiment, Zn-datz-ipa can preferentially adsorb C2H6 over C2H4, showing a great potential for one-step purification of C2H4. In addition, this mechanochem. method can be scaled up to 100 mmol magnitude with single-pass production up to 20.0 g.

Journal of Solid State Chemistry published new progress about Ball mills. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Jiang, Haihua published the artcileVapor-Liquid Phase Equilibrium for Separation of Isopropanol from Its Aqueous Solution by Choline Chloride-Based Deep Eutectic Solvent Selected by COSMO-SAC Model, Quality Control of 598-50-5, the main research area is vapor liquid phase equilibrium separation isopropanol aqueous solution; choline chloride deep eutectic solvent COSMO SAC model.

To sep. isopropanol from its aqueous solution by distillation, the deep eutectic solvents (DESs) with choline chloride, which were screened using the COSMO-SAC mode, were applied to eliminate the azeotropic point. The charge d. distribution over the mol. surface was calculated for isopropanol, water, and DESs to analyze the interactions between different species. Based on the screening results, a DES consisting of choline chloride and triethylene glycol in a molar ratio of 1:3 was selected. To validate the selected DES for the separation of isopropanol from its aqueous solution, the isobaric vapor-liquid equilibrium (VLE) data for the system of isopropanol + water + DES were measured at a pressure of 101.3 kPa. According to the measured VLE data, the azeotropic point of isopropanol and water can be eliminated by the DES at a concentration of 10 wt %. Meanwhile, the thermodn. consistency of the VLE data was checked by the van Ness test. The non-random two-liquid model was employed to correlate the VLE data, which were in agreement with the measured VLE data.

Journal of Chemical & Engineering Data published new progress about Azeotropes. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Quality Control of 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Zhao, Xiaodan published the artcileEnhanced abatement of organic contaminants by zero-valent copper and sulfite, Formula: C11H9I3N2O4, the main research area is copper sulfite iohexol organic contaminant oxidation waste water treatment.

Sulfate radicals (SO4·-) are highly efficient for the degradation organic pollutants. SO4·- can be produced by activation of sulfites, yet actual heterogeneous activators exhibit a lower reactivity for activation of sulfite to SO4·- at pH 7.0-8.0. Here we hypothesized that zero-valent copper can activate sulfite under mild conditions. We tested the reaction with iohexol, diatrizoate, atrazine, benzoic acid, and p-chlorobenzoic acid contaminants. Reactive radicals were identified by ESR, fluorescence spectrometry, and radical scavenging experiments Results show up to 90% abatement of contaminants by combining sulfite with zero-valent copper at pH 8.0. Moreover, zero-valent copper maintains a crystalline stability and satisfactory reusability with iohexol abatement efficiency up to 80% after five runs.

Environmental Chemistry Letters published new progress about Atmosphere. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Formula: C11H9I3N2O4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Chen, Dongxu published the artcileIntroduction of the acylamino group to bridged bis(nitroamino-1,2,4-triazole): a strategy for tuning the sensitivity of energetic materials, Formula: C2H5N5, the main research area is energetic material nitroaminotriazole acylamino introduction sensitivity tuning.

In this work, the acylamino group has been introduced into energetic materials to build acylamino-bridged bis(1,2,4-triazole) 3 and its nitration derivative 4. Both 3 and 4 were thoroughly characterized via spectroscopic and structural methods. In addition, their sensitivities toward friction and impact were determined and the energetic performances of 3 and 4 were calculated using the EXPLO5 code. Compound 3 is insensitive to mech. stimulation (IS: 40 J, FS: 320 N). Besides, compared with the C-C-bonded compound DNABT (IS: 3 J, D: 8355 m s-1) without any bridging group, 4 achieves a balance between the sensitivity (IS: 18 J, FS: 200 N) and the detonation velocity (D: 8564 m s-1). The effect of introducing an acylamino group into 3 and 4 was elucidated using HOM: O-LUMO anal. and the anisotropy of the induced current-d. method.

New Journal of Chemistry published new progress about Anisotropy. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Formula: C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Bhat, Mashooq A. published the artcileNovel sulindac derivatives: synthesis, characterisation, evaluation of antioxidant, analgesic, anti-inflammatory, ulcerogenic and COX-2 inhibition activity, Product Details of C9H10O3, the main research area is sulindac acetohydrazide synthesis NSAID analgesic antioxidant COX2 ulcer; COX-2 activity; Sulindac hydrazide; analgesic; anti-inflammatory; antioxidant; hydrazones.

A new series of N’-(substituted phenyl)-2-(1-(4-(methylsulfinyl) benzylidene)-5-fluoro-2-methyl-1H-inden-3-yl) acetohydrazide derivatives were prepared in good yields in an efficient manner. All the compounds were fully characterised by the elemental anal. and spectral data. Synthesized compounds were evaluated for antioxidant activity by DPPH method. Compounds (R = 3-methoxyphenyl), (R = 4-dimethylaminophenyl) and (R = 2,4,5-trimethoxy phenyl) substitutions were found to be having highly potent antioxidant activity. Compound , with para dimethylaminophenyl substitution was found to be having highest antioxidant activity. It was further evaluated in vivo for various analgesic, anti-inflammatory, ulcerogenic and COX-2 inhibitory activity in different animal models. Lead compound was found to be significant anti-inflammatory and analgesic agent. It was also evaluated for ulcerogenic activity and demonstrated significant ulcerogenic reduction activity in ethanol and indomethacin model. The LD50 of compound was found to be 131 mg/kg. The animals treated with compound prior to cisplatin treatment resulted in a significant reduction in COX-2 protein expression when compared to cisplatin-treated group. Sulindac derivative with para dimethylaminophenyl substitution was found to be the most potent antioxidant, anti-inflammatory and analgesic agent as well as with significant gastric sparing activity as compared to standard drug sulindac. Compound significantly downregulated liver tissue COX-2 gene expression.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about Analgesics. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, Product Details of C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Alsaif, Nawaf A. published the artcileSynthesis of novel diclofenac hydrazones: molecular docking, anti-inflammatory, analgesic and ulcerogenic activity, Formula: C9H10O3, the main research area is dichloroanilinophenyl methylidene acetohydrazide preparation antiinflammatory analgesic ulcerogenic SAR docking.

This study was aimed to design novel diclofenac hydrazones I [R = 2,4-dimethoxyphenyl, 3,5-dimethoxy-4-hydroxyphenyl, 2,5-dihydroxyphenyl, Etc] having anti-inflammatory and analgesic activity with gastric sparing effect. A new series of 2-[2-(2,6-dichloroanilino)phenyl]-N’-[(substituted phenyl)methylidene] acetohydrazide derivatives I were synthesized and evaluated for their anti-inflammatory, analgesic, and ulcerogenic activity. The compounds I were identified and confirmed by elemental anal. and spectral data. During anti-inflammatory activity by carrageenan-induced paw edema method, compounds I [R = 2,3-dimethoxyphenyl, 2,4-dimethoxyphenyl, 3-ethoxy-2-hydroxyphenyl, 3,5-dimethoxy-4-hydroxyphenyl, 3-methoxy-4-ethoxyphenyl, 2,5-dihydroxyphenyl] were found to be most promising. Compounds I [R = 2,4-dimethoxyphenyl, 3,5-dimethoxy-4-hydroxyphenyl, 2,5-dihydroxyphenyl] have been found to have significant analgesic activity compared to the reference drug diclofenac in analgesic activity by both the hot plate method and acetic acid-induced writhing method. The compounds I which presented highly significant anti-inflammatory and analgesic activity were further tested for their ulcerogenic activity. Compounds I [R = 2,4-dimethoxyphenyl, 3,5-dimethoxy-4-hydroxyphenyl] showed maximum ulcerogenic reduction activities. Compound I [R = 3,5-dimethoxy-4-hydroxyphenyl] was found to have LD50 of 168 mg/kg. Compound I [R = 3,5-dimethoxy-4-hydroxyphenyl] with 3,5-dimethoxy-4-hydroxyphenyl substitution was found to be the most promising anti-inflammatory and analgesic agent with gastric sparing activity. Mol. docking of compounds I was performed for COX-1/COX-2 binding site. Lead compound I [R = 3,5-dimethoxy-4-hydroxyphenyl] showed better binding affinities of -9.4 kJ/mol with both COX-1 and COX-2 as compared to the standard drug, diclofenac with binding affinities of -6.6 kJ/mol and -8.1 kJ/mol for COX-1 and COX-2, resp.

Journal of Chemistry published new progress about Analgesics. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, Formula: C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Boleda, M. Rosa published the artcileValidation and uncertainty estimation of a multiresidue method for pharmaceuticals in surface and treated waters by liquid chromatography-tandem mass spectrometry, SDS of cas: 117-96-4, the main research area is validation uncertainty estimation multiresidue pharmaceutical water; liquid chromatog tandem mass spectrometry.

The estimation of measurement uncertainty associated with quant. results is essential to assure the reliability of anal. methods and mandatory when a laboratory implements ISO standard 17025. A quant. multi-residue method based on solid-phase extraction (SPE) and ultra-performance liquid chromatog. tandem mass spectrometry detection (LC-MS/MS) was developed and validated for the anal. of 53 pharmaceuticals (analgesics, anti-inflammatories, antibiotics, lipid regulating agents, cholesterol lowering stating agents, gastric drugs, x-ray, and miscellaneous compounds such as sildenafil, prednisone, triclosan, chlorhexidine and miconazole) in surface and drinking waters. A full validation of the method, according to ISO standard 17025 procedure, was performed. Linearity (0.01-250 ng/L), intra-day precision (3-19% RSD in surface water and 2-19% RSD in drinking water) and inter-day precision (3-16% RSD in surface water and 1-18% RSD in drinking water), matrix effects (low matrix effects were observed for 50% of compounds in both matrixes), limits of quantification (0.2-40 ng/L in surface water and 0.2-30 ng/L in drinking water) were calculated The recoveries at 100 ng/L were >80% for 72 and 79% of the target compounds in surface and drinking waters, resp. The information obtained from the full method validation was used to estimate the expanded uncertainty and the uncertainties contributions of the different individual steps of the method for the determination of pharmaceuticals at trace levels in waters. Expanded relative uncertainties were 6-23% being the uncertainty associated with reproducibility the main contribution.

Journal of Chromatography A published new progress about Analgesics. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, SDS of cas: 117-96-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Casas, Monica Escola published the artcileBiodegradation of pharmaceuticals in hospital wastewater by staged Moving Bed Biofilm Reactors (MBBR), Application of Diatrizoic Acid, the main research area is hospital wastewater pharmaceutical MBBR biodegradation; Biodegradation; Conjugates; Degradation kinetics; Hospital wastewater; Pharmaceuticals; X-ray contrast media.

Hospital wastewater represents a significant input of pharmaceuticals into municipal wastewater. As Moving Bed Biofilm Reactors (MBBRs) appear to remove organic micro-pollutants, hospital wastewater was treated with a pilot plant consisting of three MBBRs in series. The removal of pharmaceuticals was studied in two experiments: (1) A batch experiment where pharmaceuticals were spiked to each reactor and (2) a continuous flow experiment at native concentrations DOC removal, nitrification as well as removal of pharmaceuticals (including X-ray contrast media, β-blockers, analgesics and antibiotics) occurred mainly in the first reactor. In the batch experiment most of the compounds followed a single first-order kinetics degradation function, giving degradation rate constants ranged from 5.77 × 10-3 to 4.07 h-1, from -5.53 × 10-3 to 9.24 × 10-1 h-1 and from 1.83 × 10-3 to 2.42 × 10-1 h-1 for first, second and third reactor resp. Generally, the highest removal rate constants were found in the first reactor while the lowest were found in the third one. This order was inverted for most compounds, when the removal rate constants were normalized to biomass, indicating that the last tank had the most effective biofilms. In the batch experiment, 21 out of 26 compounds were assessed to be degraded with more than 20% within the MBBR train. In the continuous flow experiment the measured removal rates were lower than those estimated from the batch experiments

Water Research published new progress about Analgesics. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Application of Diatrizoic Acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Boleda, M. Rosa published the artcileSurvey of the occurrence of pharmaceuticals in Spanish finished drinking waters, Recommanded Product: Diatrizoic Acid, the main research area is pharmaceutical tandem mass spectrometry finished drinking water pollution Spain.

Fifty samples of finished drinking waters (FDWs) from Spain covering 12 million inhabitants were tested for 53 pharmaceuticals pertaining to 12 different Anatomical Therapeutic Chem. (ATC) classification system codes. The studied compounds are a combination of most commonly consumed pharmaceuticals with other barely reported in the literature. Five compounds, azithromycin, clarithromycin, erythromycin, sulfamethoxazole, and ibuprofen were tentatively identified by liquid chromatog. coupled to tandem mass spectrometry (LC-MS/MS) in some samples (2 to 15 %), but only ibuprofen and azithromycin could be confirmed when analyzed by liquid chromatog.-high-resolution mass spectrometry (LC-HRMS) with a quadrupole-Orbitrap instrument. Concentration levels of ibuprofen in the pos. samples ranged from 12 to 17 ng/L (n = 6) while for azithromycin values from 5 to 9.5 ng/L (n = 3) were found. Ibuprofen fragmentation behavior in different mass spectrometry instrument configurations (triple quadrupole, quadrupole-ion trap, and quadrupole-Orbitrap) was evaluated.

Environmental Science and Pollution Research published new progress about Analgesics. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Recommanded Product: Diatrizoic Acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Cannalire, Rolando published the artcileBroad spectrum anti-flavivirus pyridobenzothiazolones leading to less infective virions, Application of 4-Methoxyphenylacetic acid, the main research area is dengue yellow fever virus antiflavivirus pyridobenzothiazolone; Antiviral small molecules; Antivirals; Dengue inhibitors; Flavivirus inhibitors; Flavivirus replication; Zika virus.

We report the design, synthesis, and biol. evaluation of a class of 1H-pyrido[2,1-b][1,3]benzothiazol-1-ones originated from compound 1, previously identified as anti-flavivirus agent. Some of the new compounds showed activity in low μM range with reasonable selectivity against Dengue 2, Yellow fever (Bolivia strain), and West Nile viruses. One of the most interesting mols., compound 16, showed broad antiviral activity against addnl. flaviviruses such as Dengue 1, 3 and 4, Zika, Japanese encephalitis, several strains of Yellow fever, and tick-borne encephalitis viruses. Compound 16 did not exert any effect on alphaviruses and phleboviruses and its activity was maintained in YFV infected cells from different species. The activity of 16 appears specific for flavivirus with respect to other virus families, suggesting, but not proving, that it might be targeting a viral factor. We demonstrated that the antiviral effect of 16 is not related to reduced viral RNA synthesis or virion release. On the contrary, viral particles grown in the presence of 16 showed reduced infectivity, being unable to perform a second round of infection. The chem. class herein presented thus emerges as suitable to provide pan-flavivirus inhibitors.

Antiviral Research published new progress about Alphavirus. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Application of 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem