Category: 112-63-0

Beyett, Tyler S.; Gan, Xinmin; Reilly, Shannon M.; Gomez, Andrew V.; Chang, Louise; Tesmer, John J. G.; Saltiel, Alan R.; Showalter, Hollis D. published the artcile< Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKKε for the treatment of obesity>, Application of C19H34O2, the main research area is aminooxochromenopyridinecarboxylate inhibitor inflammatory kinase antiobesity obesity; crystal structure; Amlexanox; Inhibitor of nuclear factor kappa-B kinase subunit epsilon (IKKε); Obesity; SAR; TANK-binding kinase 1 (TBK1); TBK1·amlexanox co-crystal.

The noncanonical IκB kinases TANK-binding kinase 1 (TBK1) and inhibitor of nuclear factor kappa-B kinase ε (IKKε) play a key role in insulin-independent pathways that promote energy storage and block adaptive energy expenditure during obesity. Utilizing docking calculations and the x-ray structure of TBK1 bound to amlexanox, an inhibitor of these kinases with modest potency, a series of analogs was synthesized to develop a structure activity relationship (SAR) around the A- and C-rings of the core scaffold. A strategy was developed wherein R7 and R8 A-ring substituents were incorporated late in the synthetic sequence by utilizing palladium-catalyzed cross-coupling reactions on appropriate bromo precursors. Analogs display IC50 values as low as 210 nM and reveal A-ring substituents that enhance selectivity toward either kinase. In cell assays, selected analogs display enhanced phosphorylation of p38 or TBK1 and elicited IL-6 secretion in 3T3-L1 adipocytes better than amlexanox. An analog bearing a R7 cyclohexyl modification demonstrated robust IL-6 production in 3T3-L1 cells as well as a phosphorylation marker of efficacy and was tested in obese mice where it promoted serum IL-6 response, weight loss, and insulin sensitizing effects comparable to amlexanox. These studies provide impetus to expand the SAR around the amlexanox core toward uncovering analogs with development potential.

Bioorganic & Medicinal Chemistry published new progress about Antiobesity agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Sakurai, Toru; Katsumata, Kenji; Udo, Ryutaro; Tago, Tomoya; Kasahara, Kenta; Mazaki, Junichi; Kuwabara, Hiroshi; Kawakita, Hideaki; Enomoto, Masanobu; Ishizaki, Tetsuo; Nemoto, Yukako; Osaka, Yoshiaki; Nagakawa, Yuichi; Sugimoto, Masahiro; Tsuchida, Akihiko published the artcile< Validation of Urinary Charged Metabolite Profiles in Colorectal Cancer Using Capillary Electrophoresis-Mass Spectrometry>, Product Details of C19H34O2, the main research area is colorectal cancer urinary charged metabolite capillary electrophoresis mass spectrometry; adenoma; capillary electrophoresis-mass spectrometry; colorectal cancer; metabolome.

This study aimed to validate and reanalyze urinary biomarkers for detecting colorectal cancers (CRCs). We previously conducted urinary metabolomic analyses using capillary electrophoresis-mass spectrometry and found a significant difference in various metabolites, especially polyamines, between patients with CRC and healthy controls (HC). We analyzed addnl. samples and confirmed consistency between the newly and previously analyzed data. In total, we included 36 HC, 34 adenoma (AD), and 214 CRC samples, which were used for subsequent analyses. Among the 132 quantified metabolites, 16 exhibited consistent differences in both datasets, which included polyamines, etc. Pathway analyses of the integrated data revealed significant differences in many metabolites, such as glutamine, and metabolites of the TCA (tricarboxylic acid cycle) and urea cycles. The discrimination ability of the combination of multiple metabolites among the three groups was evaluated, which yielded higher sensitivity than tumor markers. The Mann-Whitney test was employed to evaluate the prognosis predictivity of the assessed metabolites and the difference between the patients with or without recurrence, which yielded 16 significantly different metabolites. Among these 16 metabolites, 11 presented significant prognosis predictivity. These data indicated the potential of metabolite-based discrimination of patients with CRC and AD from HC and prognosis predictivity of the monitored metabolites.

Metabolites published new progress about Cancer antigen 19-9 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ivasyshyn, Viktor; Smit, Hans; Chiechi, Ryan C. published the artcile< Synthesis of a Hominal Bis(difluoromethyl) Fragment>, Category: esters-buliding-blocks, the main research area is hominal bisdifluoromethyl fragment preparation; desulfurative fluorination dithiolane pyridinium fluoride; deoxofluorination keto group morpholinosulfur trifluoride.

This paper describes the synthesis of a discrete unit of hominal bis(gem-CF2). The controlled introduction of fluorine atoms is a powerful synthetic tool to introduce dipole moments with minimal impact to sterics. Poly(vinylidene difluoride) is a striking example of the influence of fluorine atoms, which impart ferroelec. behavior from the alignment of the dipole moments of CF2 units; however, it is prepared via direct polymerization of vinylidene difluoride. Thus, a different synthetic pathway is required to produce synthons containing discrete numbers of CF2 groups in a hominal relation to each other. We found out that, in the case of short chains, the consecutive deoxofluorination of sequentially introduced keto groups is inefficient, as it requires harsh conditions and decreasing yields at each step. To solve this problem, we combined the selective desulfurative fluorination of dithiolanes with pyridinium fluoride and the deoxofluorination of keto groups with morpholinosulfur trifluoride. This strategy is highly reproducible and scalable, allowing the synthesis of the hominal bis(gem-CF2) fragment as a shelf-stable tosylate, which can be used to install discrete chains of hominal bis(gem-CF2) on a variety of synthons and monomers.

ACS Omega published new progress about Dithiolanes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kamel Ariffin, Maryam Farhana; Idris, Ani published the artcile< FeCl3.6H2O Chitosan coated superparamagnetic nanoparticles supporting lipase enzyme from Candida Antarctica for microwave assisted biodiesel production>, Electric Literature of 112-63-0, the main research area is Chitosan superparamagnetic nanoparticles microwave assisted biodiesel production.

Biocatalysis has emerged as a green technol. in chem. based catalysis. Immobilization of enzymes onto magnetized nanomaterials enhances downstream processing as it eases their separation from reaction mixture Synthesis of the nanoparticles was performed in an aqueous solution of FeCl3.6H2O as precursor and NH3 as nucleating agent under microwave irradiation The maghemite complex was crosslinked with glutaraldehyde to provide conducive environment for enzyme immobilization. Stability of produced immobilized lipases against different conditions were evaluated such as working temperatures from 27°C to 85°C and retained more than 64% of its activity at 85°C. The immobilized lipase complex was able to withstand a wide range of acidic to alk. environment from pH 5.5 to pH 9.5. The enzyme retains more than 59% of its activity after 14 days of storage and can be recycled for more than 7 cycles with remaining high activity at 93.7%. Developed enzyme was then subjected to microwave irradiation for transesterification of palm oil to produce biodiesel. Highest biodiesel recovery achieved from microwave assisted immobilized lipase catalyzed transesterification of palm oil was 70.2%. The phys. properties of produced biodiesel was evaluated and fulfilled the ASTM general requirement for fuels.

Renewable Energy published new progress about Catalysis. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Baumeister, Bodo; Sakai, Naomi; Matile, Stefan published the artcile< p-Octiphenyl β-barrels with ion channel and esterase activity>, Application In Synthesis of 112-63-0, the main research area is octiphenyl beta barrel ion channel esterase activity.

Design, synthesis, and esterase and ion channel activity of a novel barrel-stave supramol. with hydrophobic exterior and histidine-rich interior are reported. Voltage-dependent binding of pyrenyl-8-oxy-1,3,6-trisulfonates by histidines within p-octiphenyl β-barrels (and not monomers) via ionic (and not hydrophobic) interactions (KD, KI, KM < 1 μM) is the basis for superb esterolytic proficiency up to (kcat/KM)/kuncat = 9.6 × 105 in water and bilayer membranes. The conductance of labile ion channels formed in planar bilayer membranes is shown to be reduced by 8-hydroxypyrene-1,3,6-trisulfonate on the single- and multichannel level. Organic Letters published new progress about Electric conductivity. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Wang, Fujing; Fan, Jiaer; Pei, Tingting; He, Zhuoen; Zhang, Jiaxing; Ju, Liliang; Han, Zhongxiao; Wang, Mingqing; Xiao, Wei published the artcile< Effects of shenkang pills on early-stage diabetic nephropathy in db/db mice via inhibiting AURKB/ RacGAP1/RhoA signaling pathway>, Product Details of C19H34O2, the main research area is shenkang nephroprotective agent AURKB RacGAP1 RhoA diabetic nephropathy; AURKB; LC/MS; RacGAP1; RhoA; diabetic nephropathy; shenkang pills; transcriptome.

Diabetic nephropathy (DN) is the leading cause of end-stage renal disease, so there is an urgent need to suppress its development at early stage. Shenkang pills (SKP) are a hospital prescription selected and optimized from effective traditional Chinese medicinal formulas for clin. treatment of DN. In the present study, liquid chromatog.-quadrupole-time of flight-mass spectrometry (LC-Q-TOF-MS) and total contents qualification were applied to generate a quality control standard of SKP. For verifying the therapeutic effects of SKP, db/db mice were administered intragastrically with SKP at a human-equivalent dose (1.82 g/kg) for 4 wk. Moreover, the underlying mechanism of SKP were analyzed by the renal RNA sequencing and network pharmacol. LC-Q-TOF-MS identified 46 compounds in SKP. The total polysaccharide and organic acid content in SKP were 4.60 and 0.11 mg/mL, resp., while the total flavonoid, saponin, and protein content were 0.25, 0.31, and 0.42 mg/mL, resp. Treatment of SKP significantly reduced fasting blood glucose, improved renal function, and ameliorated glomerulosclerosis and focal foot processes effacement in db/db mice. In addition, SKP protected podocytes from injury by increasing nephrin and podocin expression. Furthermore, transcriptome analyses revealed that 430 and 288 genes were up and down-regulated in mice treated with SKP, relative to untreated controls. Gene ontol. enrichment anal. revealed that the differentially expressed genes mainly involved in modulation of cell division and chromosome segregation. Weighted gene co-expression network anal. and network pharmacol. anal. indicated that aurora kinase B (AURKB), Rac GTPase activating protein 1 (RacGAP1) and SHC binding, and spindle associated 1 (shcbp1) might be the core targets of SKP. This protein and Ras homolog family member A (RhoA) were found overexpression in db/db mice, but significantly decreased with SKP treatment. We conclude that SKP can effectively treat early-stage DN and improve renal podocyte dysfunction. The mechanism may involve down-regulation of the AURKB/RacGAP1/ RhoA pathway.

Frontiers in Pharmacology published new progress about Adenosine A1 receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lee, Hyojin; Jang, Kyoung Won published the artcile< Effect of puffing in the extraction of active ingredients from the roots of Paeonia lactiflora and Astragalus membranaceus>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Paeonia Astragalus puffing root polyphenol.

In Asia, the roots of Paeonia lactiflora and Astragalus membranaceus have been used as therapeutic agents for thousands of years. Once the medicinal plants are harvested, they are dried and their ingredients are extracted by heat-mediated reflux extraction However, the condensed structure of organic products (especially roots) limits the extraction of bioactive components. In this study, we assessed the effect of the puffing method (using high temperature and pressure) before the extraction process in relation to the profile and antioxidant capacity of active ingredients. We demonstrated that the addnl. puffing process before extraction methods improves the yield of polyphenol concentrations and antioxidant activities from the roots of P. lactiflora and A.membranaceus.

Natural Product Sciences published new progress about Astragalus membranaceus. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Shiraishi, Takaya; Sakaitani, Masahiro; Otsuguro, Satoko; Maenaka, Katsumi; Suzuki, Toshiharu; Nakaya, Tadashi published the artcile< Novel Notch signaling inhibitor NSI-1 suppresses nuclear translocation of the Notch intracellular domain>, COA of Formula: C19H34O2, the main research area is novel notch signaling inhibitor NSI nuclear translocation intracellular domain.

The Notch receptor serves a fundamental role in the regulation of cell fate determination through intracellular signal transmission. Mutation of the Notch receptor results in abnormal active signaling, leading to the development of diseases involving abnormal cell growth, including malignant tumors. Therefore, the Notch signaling pathway is a useful pharmacol. target for the treatment of cancer. In the present study, a compound screening system was designed to identify inhibitors of the Notch signaling targeting Notch intracellular domain (NICD). A total of 9,600 compounds were analyzed using the Michigan Cancer Foundation-7 (MCF7) human breast adenocarcinoma cell line and the SH-SY5Y human neuroblastoma cell line with the reporter assay system using an artificial protein encoding a partial Notch carboxyl-terminal fragment fused to the Gal4 DNA-binding domain. The mol. mechanism underlying the inhibition of Notch signaling by a hit compound was further validated using biochem. and cell biol. approaches. Using the screening system, a potential candidate, Notch signaling inhibitor-1 (NSI-1), was isolated which showed 50% inhibition at 6.1μM in an exogenous Notch signaling system. In addition, NSI-1 suppressed the nuclear translocation of NICD and endogenous gene expression of hairy and enhancer of split-1, indicating that NSI-1 specifically targets Notch. Notably, NSI-1 suppressed the cell viability of MCF7 cells and another human breast adenocarcinoma cell line, MDA-MB-231 exhibiting constitutive and high Notch signaling activity, whereas no significant effect was observed in the SH-SY5Y cells bearing a lower Notch signaling activity. NSI-1 significantly suppressed the viability of SH-SY5Y cells expressing exogenous human Notch1. These results indicate that NSI-1 is a novel Notch signaling inhibitor and suggest its potential as a useful drug for the treatment of diseases induced by constitutively active Notch signaling.

International Journal of Molecular Medicine published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Inoo, Akane; Fukutsuka, Tomokazu; Miyahara, Yuto; Kondo, Yasuyuki; Yokoyama, Yuko; Miyazaki, Kohei; Abe, Takeshi published the artcile< Molecular structural influence of glymes on Co-intercalation behavior of solvated Li+ in graphite electrodes>, Quality Control of 112-63-0, the main research area is tetraglyme lithium graphite composite electrode ionic conductivity.

Solvated Li+ ions are intercalated into graphite in a dilute glyme-based solution and this reaction has attracted much attention for use in advanced lithium-ion batteries due to their high rate capability. In this study, Li+ co-intercalation behaviors in asym. glymes (CH3O(CH2CH2O)nC4H9, n = 2 or 3) were investigated and compared to those in sym. glymes (CH3O(CH2CH2O)nCH3, n = 1-4). Despite the large alkyl sidechains of asym. glymes, co-intercalation reactions of solvated Li+ proceeded as well as those in sym. glymes. In charge and discharge measurements, the reversible capacities in asym. glyme-based solutions were smaller than those in sym. glymes except for tetraglyme, which showed the lowest reversible capacity. There was no clear difference in the sandwich distances of glyme-Li-GICs calculated from X-ray diffraction patterns of both sym. and asym. glymes. Therefore, solvated Li+ ions with asym. glymes occupied more space in the graphite interlayer compared to sym. glymes, which resulted in smaller reversible capacities for asym. glymes. These results demonstrate the influence of solvent-related structures of GICs on reversible capacities for co-intercalation systems.

Journal of the Electrochemical Society published new progress about Composites. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Li, Wanfang; Lu, Bin; Xie, Xiaomin; Zhang, Zhaoguo published the artcile< Ru-Catalyzed Chemo- and Enantioselective Hydrogenation of β-Diketones Assisted by the Neighboring Heteroatoms>, Synthetic Route of 112-63-0, the main research area is diketone beta hydrogenation chemo enantioselective ruthenium catalyst.

A highly chemo- and enantioselective hydrogenation of β-diketones was achieved by using [Ru(benzene)(S)-SunPhosCl]Cl for consistency in THF. The neighboring heteroatoms played important roles in guaranteeing the reactivity and controlling the chemoselectivity. These results suggested a potential approach for the clean and facile synthesis of functionalized chiral β-hydroxy ketones, which could otherwise be prepared through much less step-economic transformations.

Organic Letters published new progress about Diketones, 1,3-diketones Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics