Month: November 2022

Wang, Yingcheng; Zhou, Xue; Shan, Wenyu; Liao, Ruisong; Deng, YuHua; Peng, Fangzhi; Shao, Zhihui published the artcile< Construction of Axially Chiral Indoles by Cycloaddition-Isomerization via Atroposelective Phosphoric Acid and Silver Sequential Catalysis>, Category: esters-buliding-blocks, the main research area is axially chiral indole preparation; alkynyl acetal naphthylamine phosphoric acid silver sequential cycloaddition isomerization.

Herein, the atroposelective organo/metal combined dual catalysis strategy for de novo construction of valuable axially chiral indole frameworks I [R = n-Bu, Ph, 2-naphthyl, etc.; R1 = H, 6-Br, 7-C6H5, etc.; R2 = i-Pr, t-Bu, cyclohexyl; R3 = Boc, Cbz] was developed. This protocol utilized a catalyst system of two chiral phosphoric acids (1 mol %) in combination with AgNO3 (1 mol %) and was based on the unreported intermol. cycloaddition-isomerization reaction of recently introduced C-alkynyl N,O-acetals and 2-naphthylamines. An important class of hitherto inaccessible axially chiral indoles with a C-N axis were obtained in good yields and enantioselectivities. The axially chiral indoles obtained also provided a platform for the catalyst-controlled atroposelective synthesis of axially chiral indoles bearing two C-N axes, which were difficult to access by the existing methods. This work was also an example of 2-naphthylamines used as 1,3-dinucleophiles and three-atom (CCN) synthons in cycloadditions

ACS Catalysis published new progress about Acetals Role: RCT (Reactant), RACT (Reactant or Reagent) (alkynyl). 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

Sert, Murat published the artcile< Catalytic effect of acidic deep eutectic solvents for the conversion of levulinic acid to ethyl levulinate>, Product Details of C19H34O2, the main research area is levulinic acid esterification ethyl levulinate deep eutectic solvent catalyst.

The production of Et levulinate has been investigated by levulinic acid esterification with ethanol in the presence of deep eutectic solvents. Deep eutectic solvents are environmentally friendly materials that can be easily synthesized by mixing hydrogen bond donor and acceptor. In this study, six different choline chloride based deep eutectic solvents were synthesized. Due to the requirement of esterification reaction, carboxylic acids were selected as hydrogen bond donor to gain acidic nature. Reactions were carried out in a batch reactor at various operating conditions. The most catalytically active catalyst was found to be DES formed by choline chloride and para-toluene sulfonic acid. The maximum conversion of levulinic acid was achieved as 99.8% at 353 K for 1 h in the presence of 5 wt% of catalyst. The highest selectivity of Et levulinate was achieved as 99.9% at 353 K, catalyst loading of 5 wt% and ethanol/levulinic acid molar ratio of 1.

Renewable Energy published new progress about Deep eutectic solvents. 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

Liu, Jing; Wan, Cong; Zheng, Aili; Wang, Lianyue; Yin, Kaiyue; Liu, Dandan; Wang, Shengde; Ren, Lanhui; Gao, Shuang published the artcile< α-Oxygenation of Benzylic Ethers to Esters Using MnOx-N@C Catalyst>, Category: esters-buliding-blocks, the main research area is benzoic ester preparation chemoselective green chem; benzylic ether oxidation manganese catalyst.

A catalytic system for the oxidation of benzylic ethers 2-R-3-R1-4-R2-5-R3-6-R4C6CH2OR5 (R = H, OH, Cl, OMe, etc.; R1 = H, Me, OMe, CF3; RR1 = -CH=CH-CH=CH-; R2 = H, i-Pr, Cl, Ph, etc.; R1R2 = -OCH2O-; R3 = H; R4 = H, Cl; R3R4 = -CH=CH-CH=CH-; R5 = Me, Et, Bn; R4R5 = -(CH2)2-, -CH2-) to esters 2-R-3-R1-4-R2-5-R3-6-R4C6C(O)OR5 has been developed utilizing reusable MnOx-N@C as catalyst and tert-Bu hydroperoxide (TBHP) as benign oxidant under neat condition. The catalytic oxidation system has good functional groups tolerance and excellent chemoselectivity, and this catalytic procedure can also be scaled up.

Youji Huaxue published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 2557-13-3 belongs to class esters-buliding-blocks, and the molecular formula is C9H7F3O2, Category: esters-buliding-blocks.

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

Meng, Yuxiao; Li, Xiaojun; Wang, Xiaoting; Zhang, Lu; Guan, Jiaqi published the artcile< Network pharmacological prediction and molecular docking analysis of the combination of Atractylodes macrocephala Koidz. and Paeonia lactiflora Pall. in the treatment of functional constipation and its verification>, HPLC of Formula: 112-63-0, the main research area is Atractylodes Paeonia mol docking analysis functional constipation; coupling of AMK and PLP; functional constipation; mechanism; network pharmacology.

We aimed to reveal the mechanism of functional constipation in the treatment of Atractylodes macrocephala Koidz. (AMK) and Paeonia lactiflora Pall. The main active ingredients of AMK and PLP were screened by the Traditional Chinese Medicine Systems Pharmacol. (TCMSP) platform. A database of functional constipation targets was established by GeneCard and OMIM. An “”ingredient-target”” network map was constructed with Cytoscape software (version 3.7.1), and mol. docking anal. was performed on the components and genes with the highest scores. The rats in the normal group were given saline, and those in the other groups were given 10 mg/kg diphenoxylate once a day for 14 days. The serum and intestinal tissue levels of adenosine monophosphate (cAMP), protein kinase A (PKA), and adenylyl cyclase (AC) of the rats and aquaporin (AQP)1, AQP3, and AQP8 were measured. AMK and PLP had a significant role in the regulation of targets in the treatment of functional constipation. After treatment with AMK, PLP, or mosapride, the serum and intestinal tissue levels of AC, cAMP, and PKA were significantly downregulated. Groups receiving AMK and PLP or mosapride exhibited a reduction in the level of AQP1, AQP3, and AQP8 to varying degrees. Mol. docking anal. revealed that AMK and PLP had a significant role in the regulation of targets in the treatment of functional constipation. Studies have confirmed that AMK and PLP can also affect AC, cAMP, and PKA. AC, cAMP, and PKA in model rats were significantly downregulated. AQP expression is closely related to AC, cAMP, and PKA. AMK and PLP can reduce the expression of AQP1, AQP3, and AQP9 in the colon of constipated rats.

Animal Models and Experimental Medicine published new progress about Aquaporin 1 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

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

Li, Zhijun; Bao, Haiying published the artcile< Anti-tumor effect of Inonotus hispidus petroleum ether extract in H22 tumor-bearing mice and analysis its mechanism by untargeted metabonomic>, Product Details of C19H34O2, the main research area is Inonotus hepatic carcinoma petroleum ether extract amino acid antitumor; Anti-tumor; Inonotus hispidus petroleum-ether-extract (IPE); Mechanisms; Serum metabonomic; UPLC-MS/MS.

The mushroom Inonotus hispidus is traditional Chinese medicine, which has been used to treat tumor illness for many years in China. However, the potential anti-tumor mechanisms of I. hispidus remain unclear. This study aimed to reveal the anti-tumor mechanism of I. hispidus petroleum ether extract (IPE) on H22 tumor-bearing mice from the point of view of metabonomics. The model of H22 tumor-bearing mice was constructed according to the histopathol. data and biochem. parameters, while the serum metabolomics was analyzed by non-targeted ultra-high performance liquid chromatog. and high-resolution mass spectrometry (UPLC-MS/MS) to study the potential anti-tumor mechanisms of IPE. These results indicated that IPE has significant anti-tumor effect on H22 tumor-bearing mice and no obvious adverse reactions were observed After the intervention of IPE, the biosynthesis of cortisol and corticosterone as the metabolics in the downstream of steroid biosynthesis pathway and the biosynthesis of succinate, fumarate and malate as the metabolics in the downstream of tricarboxylic acid cycle pathway were inhibited; but the metabolic pathways of the amino acids as tryptophan, lysine degradation, alanine, aspartate and glutamate and other amino acid were activated. IPE has significant anti-tumor effect in H22 tumor-bearing mice, and the anti-tumor activity of IPE is main through the regulation of energy, amino acids, and steroid hormone biosynthesis pathways expression.

Journal of Ethnopharmacology published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (metabolism). 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

Zhao, Bing; Hu, Xiongtao; Hu, Xiaofeng; Hu, Libin; Ma, Wencheng; Li, Wenrong; Liu, Xiaoyu; Zhang, Jiujun; Jiang, Yong published the artcile< Thermal initiation/ultraviolet cross-linking process in polyethylene oxide@Li6·75La3Zr1·75Ta0·25O12-based composite electrolyte with high room-temperature ionic conductivity and long life cycle>, Category: esters-buliding-blocks, the main research area is solid state lithium metal battery polymer electrolyte.

Organic-inorganic composite electrolytes (PL-SCEs) based on polyethylene oxide (PEO) and Li6·75La3Zr1·75Ta0·25O12 (LLZTO) are considered to be one of the most promising solid electrolytes. However, the low room-temperature ionic conductivity caused by the inherent high crystallinity of PEO severely hinders its practical application. Herein, a novel PL-SCE is synthesized through a facile thermal induction and UV crosslinking process, using fluoroethylene carbonate (FEC) and 4-methylbenzophenone as thermal/UV triggers, and tetraethylene glycol di-Me ether (TEGDME) as an ion conductive plasticizer. The F atom in the FEC can attack the C-O bond in the PEO chain and abstract the hydrogen attached to the C atom to form an active site, prompt TEGDME and PEO to achieve a higher degree of crosslinking, thus endowing PL-SCE with high Li-ion conductivity of 5.35 x 10-4 S cm-1 at 25°C. Besides, the obtained PL-SCE exhibits excellent wettability and compatibility with Li metal anodes, the interfacial impedance is only 44 Ω cm2. The LiFePO4||Li full cell based on the proposed PL-SCE exhibits an excellent room-temperature cycling performance with a capacity retention rate up to 88% and the average Coulombic efficiency above 98% upon 450 cycles at 1 C. Prospectively, this work provides a promising alternative method for the practical application of PL-SCEs.

Journal of Power Sources published new progress about Crosslinking. 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

Westerberg, Goran; Langstrom, Bengt published the artcile< Online production of [11C]cyanogen bromide>, Computed Properties of 112-63-0, the main research area is cyanogen bromide 11C labeled preparation.

The electrophilic labeling precursor [11C]cyanogen bromide was produced in 95% radiochem. yield (decay-corrected) from hydrogen [11C]cyanide within 3 min from the end of bombardment using a simple and convenient solid-phase online procedure. The [11C]cyanogen bromide was used in the synthesis of a number of labeled compounds for use in positron emission tomog.

Applied Radiation and Isotopes published new progress about 112-63-0. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

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

Lee, Yong-Pyo; Jung, Hyun Ae; Lee, Min-Sang; Choi, Jung Won; Kong, Doo-Sik; Seol, Ho Jun; Nam, Do-Hyun; Lee, Jung-Il; Lee, Se-Hoon published the artcile< Bevacizumab plus irinotecan with or without gamma knife radiosurgery after failure of concurrent chemo-radiotherapy for high-grade glioma>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is bevacizumab irinotecan anticancer agent high grade glioma; Bevacizumab; Gamma knife radiosurgery; High-grade glioma; Irinotecan.

Introduction: Concurrent chemo-radiotherapy (CCRT) with temozolomide (TMZ) is a standard first-line treatment for high-grade glioma. However, if CCRT with TMZ treatment fails, second-line treatment options have limited value. Bevacizumab plus irinotecan is the only available treatment option for such patients. The role of gamma knife radiosurgery (GKS) in patients with high-grade gliomas is not well-established. In this study, we evaluated the efficacy and safety of bevacizumab plus irinotecan with or without GKS in the treatment of high-grade glioma patients who progressed after initially being treated with CCRT with TMZ. We collected clin. data of patients with biopsy-proven high-grade glioma (glioblastoma multiforme (GBM) or anaplastic astrocytoma) who were treated at Samsung Medical Center from Jan. 2015 to Dec. 2020, retrospectively. We evaluated the overall survival (OS), progression-free survival (PFS), and safety of bevacizumab plus irinotecan with or without GKS. In total, 203 patients were diagnosed with high-grade glioma, including GBM and anaplastic astrocytoma. The median OS was 8.73 mo (95% confidence interval [CI]: 7.27-10.18), and the median PFS was 4.36 mo (95% CI: 3.75-4.97). Sixty-eight (33.4%) patients underwent GKS prior to bevacizumab plus irinotecan treatment, which led to a significantly prolonged OS (10.13 mo, 95% CI: 8.65-11.60 vs. 8.26 mo, 95% CI: 7.01-9.51, p = 0.012). The most common adverse events of any grade were neutropenia (36.9%) and thrombocytopenia (22.6%). However, the incidence of adverse events in patients who underwent GKS prior to bevacizumab plus irinotecan was not different compared with those in patients who did not undergo GKS. Bevacizumab plus irinotecan was well-tolerated and moderately effective in patients with high-grade gliomas. The addition of GKS prior to bevacizumab plus irinotecan led to a significant OS benefit with a manageable safety profile. GKS prior to bevacizumab plus irinotecan can therefore be considered a potential treatment option for these patients.

Journal of Neuro-Oncology published new progress about Anaplastic astrocytoma. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Kertmen, Ahmet; Przysiecka, Lucja; Coy, Emerson; Popenda, Lukasz; Andruszkiewicz, Ryszard; Jurga, Stefan; Milewski, Slawomir published the artcile< Emerging Anticancer Activity of Candidal Glucoseamine-6-Phosphate Synthase Inhibitors upon Nanoparticle-Mediated Delivery>, Reference of 112-63-0, the main research area is antitumor glucoseamine phosphate synthase inhibitor antifungal.

Numerous glutamine analogs have been reported as irreversible inhibitors of the glucosamine-6-phosphate (GlcN-6-P) synthase in pathogenic Candida albicans in the last 3.5 decades. Among the reported inhibitors, the most effective N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoic acid (FMDP) has been extensively studied in order to develop its more active analogs. Several peptide-FMDP conjugates were tested to deliver FMDP to its subcellularly located GlcN-6-P synthase target. However, the rapid development of fungal resistance to FMDP-peptides required development of different therapeutic approaches to tackle antifungal resistance. In the current state of the global antifungal resistance, subcellular delivery of FMDP via free diffusion or endocytosis has become crucial. In this study, we report on in vitro nanomedical applications of FMDP and one of its keto acid analogs, N3-trans-4-oxo-4-phenyl-2-butenoyl-L-2,3-diaminopropanoic acid (BADP). FMDP and BADP covalently attached to polyethylene glycol-coated iron oxide/silica core-shell nanoparticles are tested against intrinsically multidrug-resistant C. albicans. Three different human cancer cell lines potentially overexpressing the GlcN-6-P synthase enzyme are tested to demonstrate the immediate inhibitory effects of nanoparticle conjugates against mammalian cells. It is shown that nanoparticle-mediated delivery transforms FMDP and BADP into strong anticancer agents by inhibiting the growth of the tested cancer cells, whereas their anti-Candidal activity is decreased. This study discusses the emerging inhibitory effect of the FMDP/BADP-nanoparticle conjugates based on their cellular internalization efficiency and biocompatibility.

Langmuir published new progress about Antitumor agents. 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

Cheng, Jiajia; Huang, Zhijian; Chi, Yonggui Robin published the artcile< NHC Organocatalytic Formal LUMO Activation of α,β-Unsaturated Esters for Reaction with Enamides>, Application of C19H34O2, the main research area is ester unsaturated enantioselective addition rearrangement imine carbene catalyst enamide; pyridinone dihydro asym synthesis; LUMO activation; N-heterocyclic carbenes; esters; lactams; organocatalysis.

Stable α,β-unsaturated esters, e.g. R1CH:CHCO2R2 (R1 = Me, Et, Ph, 4-MeC6H4, 1-naphthyl, 2-thienyl, etc.; R2 = 4-O2NC6H4), were activated by the addition of a chiral N-heterocyclic carbene organocatalyst, and the resulting Michael acceptor intermediates readily reacted with enamide nucleophiles, generated in situ from the corresponding ketone-derived imines, e.g. R3CH2CR4:NTs (R3 = H, Me, n-Pr, H2C:CHCH2; R4 = Ph, 4-FC6H4, 2-naphthyl, 2-thienyl, etc.), to furnish optically active dihydropyridinones, e.g. I. The products can be converted into bioactive δ-lactams, piperidines and their derivatives

Angewandte Chemie, International Edition published new progress about Enantioselective synthesis. 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