Month: December 2022

Mourot, Laura published the artcileStructure-activity relationship and molecular modeling studies of quinazolinedione derivatives MMV665916 as potential antimalarial agent, Recommanded Product: (2-Methoxyphenyl)methanamine, the publication is Bioorganic & Medicinal Chemistry (2021), 116513, database is CAplus and MEDLINE.

A series of new quinazolinedione derivatives have been readily synthesized and evaluated for their in vitro antiplasmodial growth inhibition activity. Most of the compounds inhibited P. falciparum FcB1 strain in the low to medium micromolar concentration The 2-ethoxy 8ag′, 2-trifluoromethoxy 8ai′ and 4-fluoro-2-methoxy 8ak′ showed the best inhibitory activity with EC50 values around 5 μM and were non-toxic to the primary human fibroblast cell line AB943. However, these compounds were less potent than the original hit MMV665916, which showed remarkable growth inhibition with EC50 value of 0.4 μM and presented the highest selectivity index (SI > 250). In addition, a novel approach for determining the docking poses of these quinazolinedione derivatives with their potential protein target, the P. falciparum farnesyltransferase PfFT, was investigated.

Bioorganic & Medicinal Chemistry published new progress about 6850-57-3. 6850-57-3 belongs to ethers-buliding-blocks, auxiliary class Amine,Benzene,Ether, name is (2-Methoxyphenyl)methanamine, and the molecular formula is C8H11NO, Recommanded Product: (2-Methoxyphenyl)methanamine.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Das, Agnideep published the artcileA Single Bioinspired Hexameric Nickel Catechol-Alloxazine Catalyst Combines Metal and Radical Mechanisms for Alkene Hydrosilylation, Application of 1,2-Dimethoxybenzene, the publication is Chemistry – A European Journal (2022), 28(35), e202200596, database is CAplus and MEDLINE.

Mechanisms combining organic radicals and metallic intermediates hold strong potential in homogeneous catalysis. Such activation modes require careful optimization of two interconnected processes: one for the generation of radicals and one for their productive integration towards the final product. We report that a bioinspired polymetallic nickel complex can combine ligand- and metal-centered reactivities to perform fast hydrosilylation of alkenes under mild conditions through an unusual dual radical- and metal-based mechanism. This earth-abundant polymetallic complex incorporating a catechol-alloxazine motif as redox-active ligand operates at low catalyst loading (0.25 mol%) and generates silyl radicals and a nickel-hydride intermediate through a hydrogen atom transfer (HAT) step. Evidence of an isomerization sequence enabling terminal hydrosilylation of internal alkenes points towards the involvement of the nickel-hydride species in chain walking. This single catalyst promotes a hybrid pathway by combining synergistically ligand and metal participation in both inner- and outer- sphere processes.

Chemistry – A European Journal published new progress about 91-16-7. 91-16-7 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether,Inhibitor,Inhibitor,Inhibitor, name is 1,2-Dimethoxybenzene, and the molecular formula is C8H10O2, Application of 1,2-Dimethoxybenzene.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Kreutzberger, Alfred published the artcileCondensations of α,α¹-dithiobisformamidine with β-diketones, COA of Formula: C2H8Cl2N4S2, the publication is Liebigs Annalen der Chemie (1981), 532-7, database is CAplus.

[H₂NC(:NH)S]₂ reacted with 1-(2-furyl)-4,4,4-trifluoro-1,3-butanedione to give 14% disulfide I and 20% ketone II. MeCOCH₂COCF₃ similarly gave 16% thione III.

Liebigs Annalen der Chemie published new progress about 14807-75-1. 14807-75-1 belongs to ethers-buliding-blocks, auxiliary class Salt,Thiourea,Amine,Aliphatic hydrocarbon chain, name is Formamidine disulfide dihydrochloride, and the molecular formula is C2H8Cl2N4S2, COA of Formula: C2H8Cl2N4S2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Gonzalez-Dominguez, Raul published the artcileHigh-Throughput Method for Wide-Coverage and Quantitative Phenolic Fingerprinting in Plant-Origin Foods and Urine Samples, HPLC of Formula: 134-96-3, the publication is Journal of Agricultural and Food Chemistry (2022), 70(25), 7796-7804, database is CAplus and MEDLINE.

The use of mass spectrometry is currently widespread in polyphenol research because of its sensitivity and selectivity, but its usual high cost, reduced robustness, and nonavailability in many anal. laboratories considerably hinder its routine implementation. Herein, we describe the optimization and validation of a high-throughput, wide-coverage, and robust metabolomics method based on reversed-phase ultra-high-performance liquid chromatog. with diode array detection for the identification and quantification of 69 phenolic compounds and related metabolites covering a broad chem. space of the characteristic secondary metabolome of plant foods. The method was satisfactorily validated following the Food and Drug Administration guidelines in terms of linearity (4-5 orders of magnitude), limits of quantification (0.007-3.6 mg L^-1), matrix effect (60.5-124.4%), accuracy (63.4-126.7%), intraday precision (0.1-9.6%), interday precision (0.6-13.7%), specificity, and carryover. Then, it was successfully applied to characterize the phenolic fingerprints of diverse food products (i.e., olive oil, red wine, strawberry) and biol. samples (i.e., urine), enabling not only the detection of many of the target compounds but also the semi-quantification of other phenolic metabolites tentatively identified based on their characteristic absorption spectra. Therefore, this method represents one step further toward time-efficient and low-cost polyphenol fingerprinting, with suitable applicability in the food industry to ensure food quality, safety, authenticity, and traceability.

Journal of Agricultural and Food Chemistry published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C9H10O4, HPLC of Formula: 134-96-3.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Sakdasri, Winatta published the artcileContinuous production of biofuel from refined and used palm olein oil with supercritical methanol at a low molar ratio, Recommanded Product: 2-Methoxypropan-1-ol, the publication is Energy Conversion and Management (2015), 934-942, database is CAplus.

The high energy consumption and high environmental impact in the supercritical methanol (SCM) process primarily originates from the preheating of reactants and the recovery of excess alcs. This work demonstrated the synthesis of biofuel using a lowered methanol to oil molar ratio of 12:1, instead of the 40:1-42:1 ratios that are commonly employed in conventional SCM. The apparent d. of the reacting mixture was measured and applied to accurately calculate residence times in a continuous reactor. The effects of residence time were considered from 10 to 25 min. The results revealed that excessive residence times reduced the ester content, especially for unsaturated esters, in the resulting biofuel. A residence time of 20 min was recommended to simultaneously achieve a maximum ester content of 90% and a triglyceride conversion of up to 99%. Used palm olein oil with high free fatty acid (4.56 weight%) can be employed as a feedstock and give a maximum ester content of 80%. In addition, the side reaction between glycerol and methanol at 400 °C and 15 MPa showed a pos. effect in increasing fuel yield by 2%-7%.

Energy Conversion and Management published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, Recommanded Product: 2-Methoxypropan-1-ol.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Tamura, Masazumi published the artcileSubstrate-Specific Heterogeneous Catalysis of CeO₂ by Entropic Effects via Multiple Interactions, Synthetic Route of 16332-06-2, the publication is ACS Catalysis (2015), 5(1), 20-26, database is CAplus.

Achieving complete substrate specificity through multiple interactions like an enzyme is one of the ultimate goals in catalytic studies. Herein, we demonstrate that multiple interactions between the CeO₂ surface and substrates are the origin of substrate-specific hydration of nitriles in water by CeO₂, which is exclusively applicable to the nitriles with a heteroatom (N or O) adjacent to the α-carbon of the CN group but is not applicable to the other nitriles. Kinetic studies reveal that CeO₂ reduces the entropic barrier (TΔS‡) for the reaction of the former reactive substrate, leading to 10⁷-fold rate enhancement compared with the latter substrate. D. functional theory (DFT) calculations confirmed multiple interaction of the reactive substrate with CeO₂, as well as preferable approximation and alignment of the nitrile group of the substrate to the active OH group on CeO₂ surface. This can lead to the reduction of the entropic barrier. This is the first example of an entropy-driven substrate-specific catalysis of a nonporous metal oxide surface, which will provide a new design strategy for enzyme-inspired synthetic catalysts.

ACS Catalysis published new progress about 16332-06-2. 16332-06-2 belongs to ethers-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Amide,Ether, name is 2-Methoxyacetamide, and the molecular formula is C3H6O2, Synthetic Route of 16332-06-2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Hillig, Roman C. published the artcileDiscovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction, Computed Properties of 1150271-51-4, the publication is Proceedings of the National Academy of Sciences of the United States of America (2019), 116(7), 2551-2560, database is CAplus and MEDLINE.

Since the late 1980s, mutations in the RAS genes have been recognized as major oncogenes with a high occurrence rate in human cancers. Such mutations reduce the ability of the small GTPase RAS to hydrolyze GTP, keeping this mol. switch in a constitutively active GTP-bound form that drives, unchecked, oncogenic downstream signaling. One strategy to reduce the levels of active RAS is to target guanine nucleotide exchange factors, which allow RAS to cycle from the inactive GDP-bound state to the active GTP-bound form. Here, we describe the identification of potent and cell-active small-mol. inhibitors which efficiently disrupt the interaction between KRAS and its exchange factor SOS1, a mode of action confirmed by a series of biophys. techniques. The binding sites, mode of action, and selectivity were elucidated using crystal structures of KRAS^G12C-SOS1, SOS1, and SOS2. By preventing formation of the KRAS-SOS1 complex, these inhibitors block reloading of KRAS with GTP, leading to antiproliferative activity. The final compound 23(I, BAY-293) selectively inhibits the KRAS-SOS1 interaction with an IC₅₀ of 21 nM and is a valuable chem. probe for future investigations.

Proceedings of the National Academy of Sciences of the United States of America published new progress about 1150271-51-4. 1150271-51-4 belongs to ethers-buliding-blocks, auxiliary class Boronic acid and ester,Amine,Benzene,Ether,Boronate Esters,Boronic Acids,Boronic acid and ester,, name is 2-Methoxy-N-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine, and the molecular formula is C16H26BNO3, Computed Properties of 1150271-51-4.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Sarkate, A. P. published the artcileConvenient Microwave-Assisted Chlorosulfonic Acid-Catalyzed Synthesis of Some Quinazolinones from 2-Phenylindole, Quality Control of 6850-57-3, the publication is Russian Journal of Organic Chemistry (2022), 58(3), 428-432, database is CAplus.

A new convenient method was developed for the synthesis of quinazolinones from 2-phenyl-1H-indole and substituted amines under catalysis by chlorosulfonic acid. The target quinazolinones were synthesized through a coupling reaction of 2-phenyl-1H-indole and different amines using chlorosulfonic acid and hydrogen peroxide in DMSO on heating at 100°C, as well as under microwave irradiation at 80°C. The microwave-assisted synthesis provided excellent yields in 8 min compared to 4-5 h under conventional heating. The developed method is flexible and economical, and it has major importance in industry and academics.

Russian Journal of Organic Chemistry published new progress about 6850-57-3. 6850-57-3 belongs to ethers-buliding-blocks, auxiliary class Amine,Benzene,Ether, name is (2-Methoxyphenyl)methanamine, and the molecular formula is C8H11NO, Quality Control of 6850-57-3.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Ram, M. K. published the artcileFabrication and characterization of poly[(2-methoxy-5-(2′-ethyl-hexyloxy)phenylene vinylene] (MEH-PPV) Langmuir-Schaefer films and their application as photoelectrochemical cells, Product Details of C15H24O2, the publication is Synthetic Metals (2001), 122(2), 369-378, database is CAplus.

The Langmuir monolayer behavior of poly[2-methoxy-5-(2′-ethyl-hexyloxy)phenylenevinylene] (MEH-PPV) conducting polymer in a subphase containing various anions was investigated at the air-water interface. The Langmuir-Schaefer (LS) films were prepared in deionized water that showed the min. area per mol., and were found to be essential for the formation of Langmuir monolayer at the air-water interface of MEH-PPV conjugated polymer. The LS films of MEH-PPV were investigated by using UV-VIS absorption, electrochem. and at. force microscopic techniques. A uniform deposition of monolayers was shown by optical technique, whereas a higher number of monolayers resulted in the tiny island morphol. in MEH-PPV LS films. The influence of concentration of anions on the redox properties of the LS films was studied by cyclic voltammetric measurements. The nature of anions in electrochem. investigation revealed the significant changes in the redox properties of the MEH-PPV LS films. The photoelectrochem. current transient of MEH-PPV LS films was compared with those obtained by the solution cast technique. This work also focused on the influence of the nature of the electrolytes, the applied potential, the type of the film and the presence of dissolved oxygen on the photoelectrochem. properties of MEH-PPV conducting polymer.

Synthetic Metals published new progress about 146370-51-6. 146370-51-6 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 1-((2-Ethylhexyl)oxy)-4-methoxybenzene, and the molecular formula is C15H24O2, Product Details of C15H24O2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Nirmala, Muthukumaran published the artcileRuthenium(II) complexes incorporating salicylaldiminato-functionalized N-heterocyclic carbene ligands as efficient and versatile catalysts for hydration of organonitriles, Category: ethers-buliding-blocks, the publication is Inorganica Chimica Acta (2016), 134-144, database is CAplus.

Authors describe a new synthetic procedure for synthesis of ruthenium(II) complexes containing salicylaldiminato functionalized mixed N-heterocyclic carbene (NHC) ligand and phosphine co-ligand. The complexes (3a–3d) have been obtained in good to excellent yields by transmetalation from the corresponding Ag-NHC complexes (2a–2d) as carbene transfer reagents. All the [Ru-NHC] complexes have been characterized by elemental analyses, spectroscopic methods as well as ESI mass spectrometry. The ligands 1a–1d show their versatility by switching to be O,N,C-chelating in these ruthenium(II) complexes. The resulting complexes have been evaluated as potential catalysts for the selective hydration of nitriles to primary amides, and related amide bond forming reactions, in environmentally friendly medium. The reaction tolerated ether, hydroxyl, nitro, bromo, formyl, pyridyl, benzyl and alkyl functional groups. The catalyst was stable for weeks and could be recovered and reused more than six times without significant loss of activity.

Inorganica Chimica Acta published new progress about 16332-06-2. 16332-06-2 belongs to ethers-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Amide,Ether, name is 2-Methoxyacetamide, and the molecular formula is C3H7NO2, Category: ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem