Month: December 2022

Liang, Jing-wei published the artcileSynthesis and identification of a novel skeleton of N-(pyridin-3-yl) proline as a selective CDK4/6 inhibitor with anti-breast cancer activities, COA of Formula: C8H8O2, the publication is Bioorganic Chemistry (2022), 105547, database is CAplus and MEDLINE.

CDK4/6 were attractive chemotherapeutic targets for the treatment of malignant tumors, CDK4/6 selective inhibitors have made outstanding contributions in the treatment of breast cancer. However, these inhibitors share a single skeleton of N-(pyridin-2-yl) pyrimidin-2-amine which cannot overcome the side effects in clin. application. In our previous study, an N¡ä- acetylpyrrolidine-1-carbohydrazide was hit as the initial fragment by analyzing the active site characteristics of CDK6. Two series of N-(pyridin-3-yl) proline were obtained by fragment growth method. The QSAR study was carried out according to the in vitro activities data against CDK4/6, and two compounds (R)-1-(2-(2-chlorobenzoyl)hydrazine-1-carbonyl)-N-(pyridin-3-yl) pyrrolidine-2-carboxamide and (R)-1-(2-(4-nitrobenzoyl)hydrazine-1-carbonyl)-N-(pyridin-3-yl) pyrrolidine-2-carboxamide with potent inhibitory activities were found to interact with CDK4 in different binding conformation. They showed potential inhibition of cell proliferation against the breast cancer cell, and 7c exhibited promised anti-breast cancer effect in vivo.

Bioorganic Chemistry published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, COA of Formula: C8H8O2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Li, Xin-Ran published the artcileSequential Cobalt/Rhodium-Catalyzed Tandem Cyclization of Aromatic Aldehydes with Acrylates for Preparing 3-Substituted Phthalides in Oxygen Atmosphere and Neat Water, Synthetic Route of 118-90-1, the publication is Asian Journal of Organic Chemistry (2022), 11(2), e202100725, database is CAplus.

Metal-catalyzed C-H activation/tandem reactions of aromatic acids and functionalized alkenes is profound for constructing phthalide skeleton. However, most of these reactions employ stoichiometric amounts of metal additives and metal oxidants/toxic organic solvents. Herein, a sequential cobalt/rhodium-catalyzed tandem cyclization of aromatic aldehydes and acrylates for preparing 3-substituted phthalides in one pot has been described. This protocol features the use of water as a sustainable solvent and oxygen as the singular oxidant free of any additives. The use of aromatic aldehydes instead of aromatic acids as starting materials renders this route high atom economy, and the formation of water as a sole byproduct makes this process practical and environmentally benign.

Asian Journal of Organic Chemistry published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Synthetic Route of 118-90-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Blodgett, Jordan published the artcileThe 4-tert-butylphenyl group as a simple tag for solution phase synthesis, Formula: C12H16O3, the publication is Tetrahedron Letters (2004), 45(35), 6649-6652, database is CAplus.

A solution phase synthesis strategy was investigated using 4-tert-butylphenyl group as the tag and a beta-cyclodextrin column as the affinity chromatog. support for the isolation of compounds containing the tag. It was found that compounds containing the tag have significantly longer retention times on the beta-cyclodextrin column than those compounds that do not have such a tag. The tag is chem. inert and can be introduced onto and removed from target compounds readily. This solution phase synthesis method was applied to the synthesis of some simple amino acid derivatives

Tetrahedron Letters published new progress about 1798-04-5. 1798-04-5 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(4-(tert-Butyl)phenoxy)acetic acid, and the molecular formula is C12H16O3, Formula: C12H16O3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zhao, Pengcheng published the artcileParticle volatility, size distribution and PAH/alkyl-PAH profiles during toluene pyrolysis in a flow reactor, COA of Formula: C24H12, the publication is Aerosol Science and Technology (2022), 56(9), 819-832, database is CAplus.

Particle volatility, size distribution, and parent and alkylated polycyclic aromatic hydrocarbon (PAH/alkyl-PAH) profiles during toluene pyrolysis in a flow reactor were studied. The experiments were conducted under three different gas residence times (0.2, 0.5 and 0.8 s) at temperatures from 950 to 1450¡ãC. Results showed that long residence times and high temperatures led to high particle mass concentrations, low particle volatility and a significant shift of particle size distribution to larger size. Total particle number concentrations exhibited a rise-then-fall trend (peaking at a critical temperature of 1050¡ãC) with increasing temperature, indicating that increasing temperature promoted a transition from nucleation to agglomeration and coagulation which dominated the particle size distributions. Among PAHs and alkyl-PAHs, those with 2-4 rings, presented the highest concentrations at 950¡ãC for 0.2 s. They appeared at 1050¡ãC for 0.5 and 0.8 s, consistent with the critical temperature of particle nucleation at long residence times (0.5 and 0.8 s). Particle peak number concentrations and total PAH mass concentrations exhibited consistent temperature dependence, indicating soot nucleation was highly related to PAH concentrations According to the comprehensive observations in this study, low mol. mass PAHs instead of larger PAHs appear to be the precursors of soot formation during high temperature pyrolysis processes. Copyright 2021 American Association for Aerosol Research.

Aerosol Science and Technology published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C10H10CoF6P, COA of Formula: C24H12.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zhang, Jin published the artcileAn air-stable, well-defined palladium-BIAN-NHC chloro dimer: a fast-activating, highly efficient catalyst for cross-coupling, Computed Properties of 613-33-2, the publication is Chemical Communications (Cambridge, United Kingdom) (2022), 58(53), 7404-7407, database is CAplus and MEDLINE.

Authors report the synthesis, characterization and reactivity of an air-stable, well-defined acenaphthoimidazolylidene palladium-BIAN-NHC chloro dimer complex, [Pd(BIAN-IPr)(¦Ì-Cl)Cl]₂. This rapidly activating catalyst merges the reactive properties of palladium chloro dimers, [Pd(NHC)(¦Ì-Cl)Cl]₂, with the attractive structural features of the BIAN framework. [Pd(BIAN-IPr)(¦Ì-Cl)Cl]₂ is the most reactive Pd(II)-NHC precatalyst discovered to date undergoing fast activation under both an inert atm. and aerobic conditions. The catalyst features bulky-yet-flexible sterics that render the C-H substituents closer to the metal center in combination with rapid dissociation to monomers and strong ¦Ò-donor properties. [Pd(BIAN-IPr)(¦Ì-Cl)Cl]₂ should be considered as a catalyst for reactions using well-defined Pd(II)-NHCs.

Chemical Communications (Cambridge, United Kingdom) published new progress about 613-33-2. 613-33-2 belongs to catalysis-chemistry, auxiliary class Benzene, name is 4,4′-Dimethyldiphenyl, and the molecular formula is C20H40O2, Computed Properties of 613-33-2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Dai, Rongke published the artcileSynthesis of panaxadiol thiadiazole derivatives and study on its potential cell cycle arrest, Related Products of catalysis-chemistry, the publication is Journal of Molecular Structure (2022), 133208, database is CAplus.

In this study, panaxadiol (PD) derivs, I [R¹ = 2-Me, 3-O₂N, 3,4,5-trimethoxy, etc.] and II [R² = H, AcO] were designed and synthesized by the reaction of thiadiazoles with PD. The identity of all final products I and II was elucidated by ¹H, ¹³C NMR, HR-MS. The cytotoxicity activities of the derivatives I and II were evaluated against four cancer cell lines using the MTT assay which revealed they indicated excellent anticancer activity. Among these compounds, II [R² = H] had the most significant cytotoxicity and distinctly inhibited the growth of a variety of tumor cells. Further studies showed that compound II [R² = H] could decrease the expression levels of CDKs protein family and Cyclin D1 in A549, suggesting that compound II [R² = H] could block the cell cycle. To prove the above conclusions, the binding sites of the two proteins were simulated by mol. docking method. The results demonstrated that the docking scores of II [R² = H] and the two cyclins are higher than that of PD. Based on the complex of the target protein and ligand, it was speculated that the enhanced antiproliferative activity may be related to the increased hydrogen bonding interactions. Therefore, these data provide a reference that compound II [R² = H] could be a promising lead drug for cancer treatment.

Journal of Molecular Structure published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Lu, Dong published the artcileCopper-Catalyzed Regioselective Olefination and Trifluoromethylation of Carboxylic Acids To Give (Z)-Trifluoromethyl Enol Esters, HPLC of Formula: 1798-04-5, the publication is Organic Letters (2022), 24(28), 5197-5202, database is CAplus and MEDLINE.

A method to produce (Z)-trifluoromethyl enol esters via the olefination and trifluoromethylation of carboxylic acids with TMSCF₃ was reported. This synthetic method used inexpensive and easy-to-handle TMSCF₃. It employed a com. available CuCl catalyst to transform a broad range of carboxylic acids into versatile (Z)-trifluoromethyl enol esters with good regio- and stereoselectivity. This protocol allowed the concise synthesis of highly functionalized (Z)-trifluoromethyl enol esters directly from carboxylic acids.

Organic Letters published new progress about 1798-04-5. 1798-04-5 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(4-(tert-Butyl)phenoxy)acetic acid, and the molecular formula is C12H16O3, HPLC of Formula: 1798-04-5.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Wang, Rong published the artcileOxime-derived palladacycle Immobilized in an Ionic Liquid Brush as an Efficient and Reusable Catalyst for Mizoroki-Heck Reaction in Neat Water, Recommanded Product: (E)-3-(3-Nitrophenyl)acrylic acid, the publication is Applied Organometallic Chemistry (2019), 33(11), e5226, database is CAplus.

An efficient and reusable heterogeneous catalyst with oxime-derived palladacycle immobilized in an ionic liquid brush was synthesized and an environmentally-friendly procedure was developed for coupling aryl iodides and bromides with acrylic acid to get corresponding cinnamic acid derivatives I [R = H, 2-Me, 4-OMe, etc.]. These reactions were conducted in neat water under aerobic conditions with water-insoluble or even solid aryl halides and they proceeded smoothly and cleanly without any organic co-solvent or other additives. The ionic liquid brush could be easily recovered and reused at least five times without significant loss of activity. The protocol was the advantages of excellent yields, environmental friendliness and catalyst recyclability.

Applied Organometallic Chemistry published new progress about 1772-76-5. 1772-76-5 belongs to catalysis-chemistry, auxiliary class Benzenes, name is (E)-3-(3-Nitrophenyl)acrylic acid, and the molecular formula is C18H28B2O4, Recommanded Product: (E)-3-(3-Nitrophenyl)acrylic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Wu, Xiaolu published the artcileIdentification of key genes and pathways between mild-moderate and severe asthmatics via bioinformatics analysis, Safety of (S)-2-Amino-4-(methylthio)butanoic acid, the publication is Scientific Reports (2022), 12(1), 2549, database is CAplus and MEDLINE.

Severe asthma is the main reason for death and disability caused by asthma. However, effective biomarkers for severe asthma have not been identified. Here, we aimed to identify potential biomarkers in severe asthma. We identified 202 differentially expressed genes (DEGs) between severe asthma and mild-moderate asthma after integrating the results from GSE69683 and GSE27011 datasets. The enrichment anal. indicated that 202 DEGs were associated with metabolism- and immune-related processes. 10 hub genes were identified by Cytoscape and five of these genes’ AUC (area under the curve) values were greater than 0.6 in GSE69683. The AUC value reached to 0.701 when combined SEC61A1 and ALDH18A1 expression. The expression of the five hub genes was verified in an external dataset. The network anal. revealed that transcription factor (TF) WT1, ZEB1, RERE, FOSL1, and miR-20a may be involved in the development of asthma. In addition, we found cyclosporine and acetaminophen could interact with these hub genes and may be neg. associated with most of the five hub genes according to previous reports. Overall, key genes were identified between mild-moderate and severe asthmatics, which contributed to the understanding of the development of asthma.

Scientific Reports published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C6H13I, Safety of (S)-2-Amino-4-(methylthio)butanoic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zhang, Pan published the artcileIdentification of candidate genes that specifically regulate subcutaneous and intramuscular fat deposition using transcriptomic and proteomic profiles in Dingyuan pigs, Related Products of catalysis-chemistry, the publication is Scientific Reports (2022), 12(1), 2844, database is CAplus and MEDLINE.

S.c. fat and i.m. fat (IMF) deposition are closely related to meat production and pork quality. Dingyuan pig, as a native pig breed in China, low selection leads to obvious genetic and phenotypic differences in the population. Individuals with extreme fat content in the population are ideal models for studying the mechanism of fat deposition. In this study, we used RNA-Seq and tandem mass tags-based (TMT) proteomics to analyze the key pathways and genes that specifically regulate s.c. fat and IMF deposition in Dingyuan pigs. We identified 191 differentially expressed genes (DEGs) and 61 differentially abundant proteins (DAPs) in the high and low back fat thickness (HBF, LBF) groups, 85 DEGs and 12 DAPs were obtained in the high and low i.m. fat (HIMF, LIMF) groups. The functional anal. showed that the DEGs and DAPs in the backfat groups were mainly involved in carbohydrates, amino acids, and fatty acids metabolism, whereas the IMF groups were involved in the insulin pathway, longevity, and some disease-related pathways. We found 40 candidate genes that might tissue-specifically lipids deposition for s.c. and i.m. fat. Our research provides theor. reference materials for the improvement of fat deposition traits of local pig breeds in my country.

Scientific Reports published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C7H13BrSi, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia