Category: isoquinoline

Peng, Xiaodong published the artcileExploring a structural protein-drug interactome for new therapeutics in lung cancer, Category: isoquinoline, the main research area is nonsmall cell lung cancer erlotinib anticancer migraine headache pain; ergotamine hypertension drug target.

The pharmacol. of drugs is often defined by more than one protein target. This property can be exploited to use approved drugs to uncover new targets and signaling pathways in cancer. Towards enabling a rational approach to uncover new targets, we expand a structural protein-ligand interactome () by scoring the interaction among 1000 FDA-approved drugs docked to 2500 pockets on protein structures of the human genome. This afforded a drug-target network whose properties compared favorably with previous networks constructed using exptl. data. Among drugs with the highest degree and betweenness two are cancer drugs and one is currently used for treatment of lung cancer. Comparison of predicted cancer and non-cancer targets reveals that the most cancer-specific compounds were also the most selective compounds Anal. of compound flexibility, hydrophobicity, and size showed that the most selective compounds were low mol. weight fragment-like heterocycles. We use a previously-developed screening approach using the cancer drug erlotinib as a template to screen other approved drugs that mimic its properties. Among the top 12 ranking candidates, four are cancer drugs, two of them kinase inhibitors (like erlotinib). Cellular studies using non-small cell lung cancer (NSCLC) cells revealed that several drugs inhibited lung cancer cell proliferation. We mined patient records at the Regenstrief Medical Record System to explore the possible association of exposure to three of these drugs with occurrence of lung cancer. Preliminary in vivo studies using the non-small cell lung cancer (NCLSC) xenograft model showed that losartan- and astemizole-treated mice had tumors that weighed 50 (p < 0.01) and 15 (p < 0.01) percent less than the treated controls. These results set the stage for further exploration of these drugs and to uncover new drugs for lung cancer therapy. Molecular BioSystems published new progress about Acne. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Liu, Shixin published the artcileLipolytic degradation, water and flavor properties of low sodium dry cured beef, Quality Control of 151-10-0, the main research area is low sodium dry cured beef lipolytic degradation.

The high sodium diet is harmful to the human body. In this study, beef was cured with some salt substitutes, namely SS, 39.7% NaCl, 51.3% KCl, 7% L-lysine and 2% L-histidine, in order to reduce the Na content for the final products, and salt substitute effects the physicochem., lipolytic, and flavor characteristics of dry-cured beef by determining free fatty acids, lipase activity, volatile compounds, and water mobility. The results showed that the lipase activity and unsaturated fatty acids were significantly increased due to the present of L-lysine and L-histidine. In addition, the SS could also enhance the lipoxygenase activity and promoted the lipid oxidation and influenced volatile compounds The changes of T21 and T22 showed that the water mobility in SS was higher (P < .05) than in the control group. Moreover, the cadaverine, histamine, and tyramine were detected in 57-day dry-cured beef, being below their toxic limits. The present study demonstrated that salt substitute by L-lysine and L-histidine alter the water distribution and mobility, improved the amounts and types of volatile compounds, while had no influence in the quality of product. International Journal of Food Properties published new progress about Beef. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Quality Control of 151-10-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Dusart, A. published the artcileOccurrence of (suspected) genotoxic flavoring substances in Belgian alcohol-free beers, Computed Properties of 21834-92-4, the main research area is Belgian alc free beers flavoring substances genotoxicity; Alcohol-free beers; Flavoring substances; GC–MS; Genotoxicity; SAFE.

The regulatory landscape of flavorings is evolving, thereby putting pressure on control laboratories to develop anal. methods for a wide range of compounds in various types of food and drinks. In order to improve the monitoring of flavoring substances, a versatile and accurate anal. method using the solvent-assisted flavor evaporation (SAFE) technique coupled to GC-MS(SIM) was developed and validated. Focus was put on authorized flavoring substances requiring specific attention due to a genotoxic concern based on information from European risks assessment reports. Thirty-seven (suspected) genotoxic flavoring substances were analyzed in a selection of ten alc.-free beers. Five suspected genotoxic compounds (i.e. 1-(2-furyl)-2-propanone, 2-acetylfuran, 2-acetyl-5-methylfuran, 2-acetyl-3,5-dimethylfuran, hex-2-eno-1,4-lactone) as well as two confirmed genotoxic flavoring substances (p-mentha-1,8-dien-7-al, 2,4-pentanedione) were identified and quantified among the selected samples. Low concentrations and natural occurrences of the identified compounds suggested that these were not added as such but rather originated from heat-treatments or from plant-based extracts

Food Chemistry published new progress about Beer. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Computed Properties of 21834-92-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Nunez, Mireia published the artcileDifferent sample treatments for the determination of ICM-XR in fish samples followed by LC-HRMS, Computed Properties of 117-96-4, the main research area is iodinated X ray contrast media contamination extraction fish; Fish samples; High resolution mass spectrometry; Iodinated X-ray contrast media; Matrix effect; Pressurised liquid extraction.

Iodinated X-ray contrast media (ICM-XR) are a group of pharmaceuticals widely used in medicine. Due to their low biodegradation rate, which makes their removal at wastewater treatment plants difficult, and the high doses at which they are administered, they have been detected in aquatic environments. In the present paper, a method for the quant. determination of a group of ICM-XR in different fish species was developed and validated for the first time. Two extraction techniques were compared: pressurised liquid extraction (PLE) and QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe), with PLE being selected, followed by liquid chromatog.-high resolution mass spectrometry. In addition, several clean-up strategies were evaluated. The optimized method provided PLE recoveries ranging from 60% to 88% and limits of detection ranging from 5 ng/g to 25 ng/g (dry weight). The method was applied in order to evaluate the presence of the selected ICM-XR in different fish species.

Talanta published new progress about Fish. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Computed Properties of 117-96-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Ye, Zenghui published the artcilePIDA-Mediated Rearrangement for the Synthesis of Enantiopure Triazolopyridinones, Application In Synthesis of 104-01-8, the main research area is hydrazide diacetoxyiodobenzene tandem oxidative cyclization carbon migration rearrangement; triazolopyridinone preparation.

A tandem oxidative cyclization/1,2-carbon migration of hydrazides for the synthesis of otherwise inaccessible hindered or enantiopure triazolopyridinones has been developed. This protocol exhibits broad substrate scope and can be easily scaled up by continuous flow synthesis under mild conditions. Most importantly, this method demonstrates a rearrangement with retention of configuration and can be readily applied for the late-stage modification of carboxylic-acid-containing pharmaceuticals, amino acids, and natural products to access enantiopure triazolopyridinones.

Organic Letters published new progress about Flow. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Application In Synthesis of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Era, Benedetta published the artcileLooking for new xanthine oxidase inhibitors: 3-Phenylcoumarins versus 2-phenylbenzofurans, Application of 4-Methoxyphenylacetic acid, the main research area is gout phenylcoumarin phenylbenzofuran xanthine oxidase inhibitor mol docking; 2-Phenylbenzofurans; 3-Phenylcoumarins; Xanthine oxidase inhibitors.

Overproduction of uric acid in the body leads to hyperuricemia, which is also closely related to gout. Uric acid production can be lowered by xanthine oxidase (XO) inhibitors. Inhibition of XO has also been proposed as a mechanism for improving cardiovascular health. Therefore, the search for new efficient XO inhibitors is an interesting topic in drug discovery. 3-Phenylcoumarins and 2-phenylbenzofurans are privileged scaffolds in medicinal chem. Their structural similarity makes them interesting mols. for a comparative study. Methoxy and nitro substituents were introduced in both scaffolds. The current study gives some insights into the synthesis and biol. activity of these mols. against this important target. For the best compound of the series, the 3-(4-methoxyphenyl)-6-nitrocoumarin (4), the IC50 value, type of inhibition, cytotoxicity on B16F10 cells and ADME theor. properties, were determined Docking studies were also performed in order to better understand the interactions of this mol. with the XO binding pocket. This work is a preliminary screening for further design and synthesis of new non-purinergic derivatives as potential compounds involved in the inflammatory suppression, specially related to gout.

International Journal of Biological Macromolecules published new progress about Gout. 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

He, Shuaiqi published the artcileVisible-light-promoted oxidative decarboxylation of arylacetic acids in air: Metal-free synthesis of aldehydes and ketones at room temperature, Recommanded Product: 4-Methoxyphenylacetic acid, the main research area is arylacetic acid 4CzIPN catalyst photochem oxidative decarboxylation green chem; aromatic aldehyde preparation; aryl ketone preparation.

A metal-free photocatalytic oxidative decarboxylation reaction at room temperature was developed for the synthesis of aromatic aldehydes and ketones from the corresponding arylacetic acids. The reaction was realized under blue-light irradiation by adding 1 mol% of 1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene (4CzIPN) as photocatalyst and air as oxidant. This reaction represents a novel decarboxylation of a sp3-hybridized carboxylic acids without traditional heating, addnl. oxidants and metal reagents under mild conditions.

Chinese Chemical Letters published new progress about Air. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Recommanded Product: 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Hullar, Ted published the artcileEnhanced photodegradation of dimethoxybenzene isomers in/on ice compared to in aqueous solution, Name: 1,3-Dimethoxybenzene, the main research area is dimethoxybenzene isomer ice snow quantum yield photochem degradation.

Photochem. reactions of contaminants in snow and ice can be important sinks for organic and inorganic compounds deposited onto snow from the atm. and sources for photoproducts released from snowpacks into the atm. Snow contaminants can be found in the bulk ice matrix, in internal liquid-like regions (LLRs), or in quasi-liquid layers (QLLs) at the air-ice interface, where they can readily exchange with the firn air. Some studies have reported that direct photochem. reactions occur faster in LLRs and QLLs than in aqueous solution, while others have found similar rates. Here, we measure the photodegradation rate constants for loss of the three dimethoxybenzene isomers under varying exptl. conditions, including in aqueous solution, in LLRs, and at the air-ice interface of nature-identical snow. Relative to aqueous solution, we find modest photodegradation enhancements (3- and 6-fold) in LLRs for two of the isomers and larger enhancements (15- to 30-fold) at the air-ice interface for all three isomers. We use computational modeling to assess the impact of light absorbance changes on photodegradation rate enhancements at the interface. We find small (2-5 nm) bathochromic (red) absorbance shifts at the interface relative to in solution, which increases light absorption, but this factor only accounts for less than 50% of the measured rate constant enhancements. The major factor responsible for photodegradation rate enhancements at the air-ice interface appears to be more efficient photodecay: estimated dimethoxybenzene quantum yields are 6- to 24-fold larger at the interface compared to in aqueous solution and account for the majority (51%-96%) of the observed enhancements. Using a hypothetical model compound with an assumed Gaussian-shaped absorbance peak, we find that a shift in the peak to higher or lower wavelengths can have a minor to substantial impact on photodecay rate constants, depending on the original location of the peak and the magnitude of the shift. Changes in other peak properties at the air-ice interface, such as peak width and height (i.e., molar absorption coefficient), can also impact rates of light absorption and direct photodecay. Our results suggest our current understanding of photodegradation processes underestimates the rate at which some compounds are broken down, as well as the release of photoproducts into the atm.

Atmospheric Chemistry and Physics published new progress about Ice. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Name: 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Niño, M C published the artcileRadiologic assessment of gastric emptying of water-soluble contrast media: New data security from a longitudinal study., SDS of cas: 117-96-4, the main research area is Abdominal pain; Ayuno; Contrast media; Dolor abdominal; Fasting; Gastric emptying; Medio de contraste; Vaciamiento gástrico.

BACKGROUND AND OBJECTIVES: Practice guidelines for preoperative fasting have not clearly established the fasting time needed after oral administration of water-soluble contrast media. The aim of this study was to determine the time required for the gastric emptying during the water-soluble contrast media in patients with acute abdominal pain. METHODS: This prospective longitudinal study included sixty-eight patients older than 18 years of age with acute abdominal pain, who required a water-soluble contrast media enhanced abdominal computed tomography study. Plain radiographs were obtained hourly until complete the gastric emptying. Patients with probable bowel obstruction were not included in the study. RESULTS: A total of 31 (45,6%), 54 (79,4%), and 64 (94,1%) patients achieved a complete gastric clearance of barium in 1, 2 and 3 hours, respectively. All patients achieved complete emptying of water-soluble contrast media within 6 hours. Gastric emptying time was not associated with gender (P=0,44), body mass index (P=.35), fasting time prior to water-soluble contrast media intake (P=0,12), administration of opioids in the emergency room (P=0,7), and the presence of comorbidities (P=0,36). CONCLUSION: Ninety-four percent of the patients with acute abdominal pain achieved complete gastric emptying within 3hours after the administration of water-soluble contrast media. All of them achieved complete gastric emptying within 6hours. The results suggested 6hours after oral intake of the contrast media is enough to complete transit of water-soluble contrast media through the stomach and avoid unnecessary risks.

Revista espanola de anestesiologia y reanimacion published new progress about Abdominal pain; Ayuno; Contrast media; Dolor abdominal; Fasting; Gastric emptying; Medio de contraste; Vaciamiento gástrico. 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

Yue, Xiaojie published the artcileLeopard syndrome: the potential cardiac defect underlying skin phenotypes, Application of 1,3-Dimethoxybenzene, the main research area is Acquired melanocytic nevi; LEOPARD syndrome; Multiple lentigines; PTPN11 mutation.

Abstract: LEOPARD syndrome (OMIM #151,100) caused by a germline PTPN11 mutation are characterized as multisystemic anomalies and variable marked phenotypes such as multiple lentigines and cafe�au-lait spots, electrocardiog. conduction abnormalities, ocular hypertelorism/obstructive cardiomyopathy, pulmonary stenosis, abnormal genitalia, retardation of growth, and deafness. Phenotype overlap complicates clin. discrimination within RASopathies, making the diagnosis of LEOPARD more confusing and challenging. Besides, LEOPARD patients do not usually present with all these typical clin. features, increasing the possibility of underdiagnosis or misdiagnosis. Herein, we report a case of LEOPARD syndrome in a patient who only presented with pigmented skin spots and was initially diagnosed with multiple acquired melanocytic nevi. Subsequent pathol. examination confirmed the diagnosis of multiple lentigines rather than melanocytic nevi. A genetic study showed a germline PTPN11 (Tyr279Cys) mutation and raised the suspicion of LEOPARD syndrome. A subsequent ECG examination detected potential cardiac defects and confirmed the diagnosis of LEOPARD. We considered that the potential damage of other systems underlying the skin multiple lentigines should not be ignored. The diagnosis of LEOPARD syndrome in an early stage before cardiac damage has reached a serious and irreversible stage can be meaningful for patients to fully understand the potential risks, complications and prognosis of the disease and to take appropriate precautions to prevent the potential risk of cardiac damage.

Hereditas (London, United Kingdom) published new progress about Acquired melanocytic nevi; LEOPARD syndrome; Multiple lentigines; PTPN11 mutation. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Application of 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem