Tag: M.W=250-300

Patra, Atanu; James, Anjima; Das, Tamal Kanti; Biju, Akkattu T. published the artcile< Oxidative NHC Catalysis for the Generation of Imidoyl Azoliums: Synthesis of Benzoxazoles>, Application of C19H34O2, the main research area is benzoxazole preparation; iminophenol oxidative cyclization heterocyclic carbene catalyst.

N-Heterocyclic carbene (NHC)-catalyzed intramol. cyclization of aldimines generated from 2-amino phenols and aromatic aldehydes leading to the synthesis of 2-arylbenzoxazoles under mild conditions is presented. The reaction proceeds via the generation of the aza-Breslow intermediates from imines and NHC, which under oxidative conditions form the key imidoyl azoliums and a subsequent intramol. cyclization furnishes the product. The reaction tolerates a broad range of functional groups, and the products are formed in generally good yields.

Journal of Organic Chemistry published new progress about Benzoxazoles Role: SPN (Synthetic Preparation), PREP (Preparation). 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

Zhang, Xin; Li, Tao; Yang, Mengdi; Du, Qianming; Wang, Rui; Fu, Bin; Tan, Yingying; Cao, Mengran; Chen, Yaxin; Wang, Qing; Hu, Rong published the artcile< Acquired temozolomide resistance in MGMTlow gliomas is associated with regulation of homologous recombination repair by ROCK2>, Quality Control of 112-63-0, the main research area is temozolomide resistance ROCK MGMT glioma homologous recombination repair.

It was reported that MGMTlow gliomas may still be resistant to TMZ, while the mechanisms remain poorly understood. In this study, we demonstrated that rho-associated kinase 2 (ROCK2), a cytoskeleton regulator, was highly expressed in MGMTlow recurrent gliomas, and its expression strongly correlated with poor overall survival (OS) time in a subset of MGMTlow recurrent gliomas patients with TMZ therapy. And we also found that overactive ROCK2 enhanced homologous recombination repair (HR) in TMZ-resistant (TMZ-R) glioma cell lines with low MGMT expression. Silencing ROCK2 impaired HR repair, and induced double-strand break (DSB) and eradicated TMZ-R glioma cells in culture. Notably, in MGMTlow TMZ-R models, as a key factor of HR, ataxia telangiectasia-mutated (ATM) expression was upregulated directly by hyper-activation of ROCK2 to improve HR efficiency. ROCK2 enhanced the binding of transcription factor zinc finger E-box binding homeobox 1 (ZEB1) to ATM promoter for increasing ATM expression. Moreover, ROCK2 transformed ZEB1 into a gene activator via Yes-associated protein 1 (YAP1). These results provide evidence for the use of ROCK inhibitors in the clin. therapy for MGMTlow TMZ-resistant glioma. Our study also offered novel insights for improving therapeutic management of MGMTlow gliomas.

Cell Death & Disease published new progress about Ataxia telangiectasia. 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

Xiao, Chunwu; Bai, Yun; Pu, Yuji; Luo, Haiqiang; Xiao, Sui; He, Bin published the artcile< Effect of polymer architecture and hard/soft segment ratio on the surface morphology and mechanical properties of polyurethane films for potential orthodontic treatment>, COA of Formula: C19H34O2, the main research area is orthodontic polyurethane film surface morphol property cytocompatibility.

In this study, polyurethane (PU) films are prepared by using 1,4-butanediol and trimethylolpropane as chain extender and crosslinking agent, resp. A series of prepolymers are synthesized by varying the feeding molar ratios of methylene diisocyanate to polytetramethylene ether glycol, which are hard and soft segments, resp. The influence of polymer architecture, chem. composition, and artificial saliva treatment on the surface morphol. and mech. strength of PU films are studied. The crosslinking polymer architecture and higher content of hard segment correlates with enhanced tensile strength and less decrease of tensile strength in the condition of artificial saliva, but reduced elongation at break. The in vitro cytotoxicity study demonstrates that PU films have excellent cytocompatibility.

Journal of Applied Polymer Science published new progress about Artificial saliva. 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

Wei, Shu-jun; Zhang, Qing; Xiang, Yong-jing; Peng, Lan-yu; Peng, Wei; Ren, Qiang; Gao, Yong-xiang published the artcile< Guizhi-Shaoyao-Zhimu decoction attenuates bone erosion in rats that have collagen-induced arthritis via modulating NF-κB signalling to suppress osteoclastogenesis>, Reference of 112-63-0, the main research area is GuiZhi ShaoYao ZhiMu decoction antiarthritic agent collagen induced arthritis; RANKL; Rheumatoid arthritis; osteoclast; osteoprotegerin.

Guizhi-Shaoyao-Zhimu decoction (GSZD) is commonly used to treat rheumatoid arthritis (RA), but its mechanism is unclear. To investigate the effect of GSZD on bone erosion in type II collagen (CII)-induced arthritis (CIA) in rats and to identify the underlying mechanism. The CIA model was prepared in male Wistar rats by two s.c. injections of CII, 1 mg/mL. Fifty CIA rats were randomized equally into the control group given saline daily, the pos. group given saline daily and methotrexate 0.75 mg/kg once a week, and three GSZD-treated groups gavaged daily with 800, 1600 and 3200 mg/kg of GSZD for 21 days. GSZD effects were assessed by paw volume, arthritic severity index and histopathol. Cytokine levels were determined by ELISA. The effects of GSZD on RAW264.7 cells were evaluated by receptor activator of NF-κB ligand (RANKL)-induced osteoclastogenesis and bone resorption assay. Expression of IκB-α and p65 was measured by Western blotting. Major components of GSZD were identified by HPLC. Arthritis index score, paw volume and bone destruction score showed that GSZD improved inflammatory symptoms and reduced joint tissue erosion (p < 0.01). GSZD decreased RANKL, and the number of osteoclasts (OCs) in joint tissues (p < 0.01) and increased osteoprotegerin levels (p < 0.01). GSZD inhibited RANKL-induced RAW264.7 differentiation and reduced bone resorption by OCs. GSZD upregulated IκB (p < 0.01) and p65 (p < 0.01) in the cytoplasm and downregulated p65 (p < 0.01) in the cell nucleus. Guizhi-Shaoyao-Zhimu decoction has an anti-RA effect, suggesting its possible use as a supplement and alternative drug therapy for RA. Pharmaceutical Biology (Abingdon, United Kingdom) published new progress about Ankle. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

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

Yue, Rong; Lu, Qing; Zhou, Yikai published the artcile< A novel nitrite biosensor based on single-layer graphene nanoplatelet-protein composite film>, Category: esters-buliding-blocks, the main research area is nitrite biosensor single layer graphene nanoplatelet protein composite film.

A novel nitrite biosensor was developed through a sensing platform consisted of single-layer graphene nanoplatelet (SLGnP)-protein composite film. SLGnP with the virtues of excellent biocompatibility, conductivity and high sensitivity to the local perturbations can provide a biocompatible microenvironment for protein immobilization and a suitable electron transfer distance between electroactive centers of heme protein and electrode surface. A pair of well-defined and quasi-reversible cyclic voltammetric peaks that reflected the direct electrochem. for ferric/ferrous couple of myoglobin (Mb) was achieved at the composite film modified electrode. Field emission SEM (FESEM) and UV visible spectra (UV-vis) were utilized to characterize the composite film. The results demonstrated that the morphol. of the composite film was unique and the protein in the composite film retained its secondary structure similar to the native state. The composite film also displayed excellent electrocatalytic ability for the reduction of nitric oxide, which was applied to determine nitrite indirectly. It exhibited good electrochem. response to nitrite with a linear range from 0.05 to 2.5 mM and a detection limit of 0.01 mM.

Biosensors & Bioelectronics published new progress about Chemically modified electrodes. 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

Kato, Taka-aki; Saeki, Ken-ichi; Kawazoe, Yutaka; Hakura, Atsushi published the artcile< Effects of oligofluorine substitution on the mutagenicity of quinoline: a study with twelve fluoroquinoline derivatives>, SDS of cas: 112-63-0, the main research area is fluoroquinoline mutagenicity oligofluorine substitution.

A total of 12 variously fluorinated derivatives of quinoline (Q) were tested for their mutagenicity in Salmonella typhimurium TA100 in the presence of S9 mix to investigate the structure-mutagenicity relation in oligofluorinated quinolines. Nine of them, 3,7-di-, 5,6-di-, 6,7-di-, 6,8-di-, 7,8-di-, 3,5,7-tri-, 5,6,8-tri-, 6,7,8-tri-, and 5,6,7,8-tetrafluoroquinolines (FQs), were newly synthesized for this purpose. Those fluorinated at position 3 were all non-mutagenic. Mutagenicity was enhanced by fluorine-substitution at position 5 or 7, but not in 3-FQs (i.e., 3,5-di-, 3,7-di-, and 3,5,7-triFQs). Some of the 6-fluorinated derivatives showed less maximum induced-revertants with more mutagenic potencies in terms of induced-revertants per dose than quinoline. No marked change occurred by fluorine-substitution at position 8. These results show that the effect of di- and trifluoro-substitution on mutagenicity is generally additive, while that of tetrafluorination approaches the deactivating effect of perfluorination. The authors study suggests that 3-fluorine-substitution in the pyridine moiety may be a useful means of antimutagenic structural modification in pyridine-fused aromatic chems. for medicinal and agricultural use.

Mutation Research, Genetic Toxicology and Environmental Mutagenesis published new progress about Mutagens. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

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

Zhang, Bin-Jie; Wang, Yue-Ye; Jia, Cheng-Yan; Li, Su-Su; Wang, Xin-Wei; Xu, Yuan; Chen, A-Yuan; Xu, He-Peng; Wang, Chun; Yang, Zhao-Yi; Wei, Wei; Chang, Yan published the artcile< Paeoniflorin-6'-o-benzene sulfonate ameliorates the progression of adjuvant-induced arthritis by inhibiting the interaction between Ahr and GRK2 of fibroblast-like synoviocytes>, Synthetic Route of 112-63-0, the main research area is CP25 ameliorates adjuvant induced arthritis Ahr GRK2 fibroblast synoviocyte; Adjuvant-induced arthritis; Aryl hydrocarbon receptor; CP-25; Fibroblasts like synoviocyte; G protein-coupled receptor kinase 2; Rheumatoid arthritis.

Aryl hydrocarbon receptor (Ahr) is thought to be a crucial factor that regulates immune responses, which may be involved in the pathogenesis of autoimmune inflammation including rheumatoid arthritis (RA). The results of our group in recent years have shown that Paeoniflorin-6′-O-benzene sulfonate (code: CP-25), a novel ester derivative of paeoniflorin, has a good effect on improving RA animal models. However, whether the anti-arthritis effect of CP-25 is related to Ahr remains unclear. Here, we showed that CP-25 treatment ameliorated adjuvant-induced arthritis (AA), a rat model of RA, by inhibiting Ahr-related activities in fibroblasts like synoviocytes (FLS). AA rats were treated with CP-25 or paroxetine from days 17 to 33 after immunization. We showed that CP-25 alleviated arthritis symptoms and the pathol. changes. Treatment with CP-25 decreased the expression of Ahr in the synovium of AA rats. CP-25 inhibited the expression of Ahr and the G protein-coupled receptor kinase 2 (GRK2) as well as the co-expression of GRK2 with Ahr in FLS of AA rats. Furthermore, CP-25 down-regulated the production of Kyn in FLS of AA rats. These results suggested that CP-25 may inhibit the expression and activation of Ahr. Besides, treatment with CP-25 reduced the proliferation and migration of MH7A caused by Ahr activation. In addition, we also demonstrated that CP-25 down-regulated the total and nuclear expression of Ahr and the expression of GRK2 in Kyn-treated MH7A. Moreover, the co-expression and co-localization of Ahr and GRK2in Kyn-treated MH7A were also repressed by CP-25. The data presented here demonstrated that CP-25 suppressed FLS dysfunction in rats with AA, which were associated with reduced Ahr activation and the interaction between Ahr and GRK2.

International Immunopharmacology published new progress about Adjuvant arthritis. 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

Zhou, Xuan; Khetan, Abhishek; Er, Sueleyman published the artcile< Evaluation of Computational Chemistry Methods for Predicting Redox Potentials of Quinone-Based Cathodes for Li-Ion Batteries>, Related Products of 112-63-0, the main research area is quinone cathode lithium ion battery redox potential computational chem.

High-throughput computational screening (HTCS) is an effective tool to accelerate the discovery of active materials for Li-ion batteries. For the evaluation of organic cathode materials, the effectiveness of HTCS depends on the accuracy of the employed chem. descriptors and their computing cost. This work was focused on evaluating the performance of computational chem. methods, including semi-empirical quantum mechanics (SEQM), d.-functional tight-binding (DFTB), and d. functional theory (DFT), for the prediction of the redox potentials of quinone-based cathode materials for Li-ion batteries. In addition, we evaluated the accuracy of three energy-related descriptors: (1) the redox reaction energy, (2) the LUMO (LUMO) energy of reactant mols., and (3) the HOMO (HOMO) energy of lithiated product mols. Among them, the LUMO energy of the reactant compounds, regardless of the level of theory used for its calculation, showed the best performance as a descriptor for the prediction of exptl. redox potentials. This finding contrasts with our earlier results on the calculation of quinone redox potentials in aqueous media for redox flow batteries, for which the redox reaction energy was the best descriptor. Furthermore, the combination of geometry optimization using low-level methods (e.g., SEQM or DFTB) followed by energy calculation with DFT yielded accuracy as good as the full optimization of geometry using the DFT calculations Thus, the proposed calculation scheme is useful for both the optimum use of computational resources and the systematic generation of robust calculation data on quinone-based cathode compounds for the training of data-driven material discovery models.

Batteries (Basel, Switzerland) published new progress about Battery cathodes. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

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

Guo, Haixin; Duereh, Alif; Su, Yaqiong; Hensen, Emiel J. M.; Qi, Xinhua; Smith, Richard Lee Jr. published the artcile< Mechanistic role of protonated polar additives in ethanol for selective transformation of biomass-related compounds>, COA of Formula: C19H34O2, the main research area is mechanistic protonated polar ethanol transformation biomass.

We report on a combined exptl., spectroscopic and theor. study of acid catalyzed dehydration-etherification of fructose in ethanol for understanding the mechanistic role of polar solvent additives and product selectivity. Herein, we show that polar solvent additives (e.g. THF, acetone, acetonitrile, gamma-valerolactone, DMSO) protonated with a common solid acid catalyst in ethanol allow transformation of biomass-related compounds into desired dehydration or etherification products. Fructose in ethanol with DMSO additive is selectively transformed into 5-hydroxymethylfurfural with negligible formation of 5-ethoxymethylfurfural due to preferential DMSO protonation according to its polarity. Spectroscopic methods and d. functional theory show that additives having higher polarity than ethanol are readily protonated and act as the key catalytic protonation species and as the key stabilization species for reaction intermediates. Understanding the mechanism of protonated polar additives in reaction systems allows one to tailor selectivity in acid-catalyzed dehydration-etherification schemes and to develop sustainable chem. for biomass resources.

Applied Catalysis, B: Environmental published new progress about Alcoholysis. 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

Zhang, Jun; Yang, Min; Liu, Jin-Biao; He, Fu-Sheng; Wu, Jie published the artcile< A copper-catalyzed insertion of sulfur dioxide via radical coupling>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is beta sulfonyl enamine preparation stereoselective regioselective; ortho acyl oxime azirine DABCO sulfur dioxide insertion copper.

A copper-catalyzed three-component reaction of O-acyl oximes, DABCO.(SO2)2, and 2H-azirines under mild conditions has been achieved. This protocol provides an efficient route for the construction of various tetrasubstituted β-sulfonyl N-unprotected enamines in moderate to good yields with excellent stereoselectivity and regioselectivity. Notably, this method represents a rare example of 2H-azirines as useful synthons for β-functionalized N-unprotected enamines. Preliminary mechanistic studies indicate that the reaction proceeds through coupling of a sulfonyl radical and α-carbon radical via copper-catalyzed ring-opening C-C bond cleavage of O-acyl oxime and C-N bond cleavage of 2H-azirine with the insertion of sulfur dioxide.

Chemical Communications (Cambridge, United Kingdom) published new progress about Azirines 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, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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