Month: November 2022

Garcia-Urricelqui, Ane; de Cozar, Abel; Mielgo, Antonia; Palomo, Claudio published the artcile< Probing α-Amino Aldehydes as Weakly Acidic Pronucleophiles: Direct Access to Quaternary α-Amino Aldehydes by an Enantioselective Michael Addition Catalyzed by Bronsted Bases>, Category: esters-buliding-blocks, the main research area is aminoethanal nitroethene cinchona catalyst enantioselective diastereoselective Michael addition; amino nitrobutanal preparation; Brønsted bases; Michael addition; asymmetric catalysis; hydrogen bonds; quaternary stereocenters.

The chem. of α-amino aldehydes was expanded beyond their limits by documenting the first direct α-alkylation of α-branched α-amino aldehydes with nitroolefins. The reaction produced densely functionalized products bearing up to two, quaternary and tertiary, vicinal stereocenters with high diastereo- and enantioselectivity. DFT modeling lead to the proposal that intramol. hydrogen bonding between the NH group and the carbonyl oxygen atom in the starting α-amino aldehyde was key for reaction stereocontrol.

Chemistry – A European Journal published new progress about Alkenes, nitro Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Han, Jinshi; Zhou, Yawei; Bai, Guanghang; Wei, Wei; Liu, Xiaoya; Li, Xiaojie published the artcile< Mechanically robust, creep-resistant, intrinsic antibacterial and reprocessable dynamic polyurethane networks based on azine moieties>, Application of C19H34O2, the main research area is polyurethane network azine chain extender creep resistant antibacterial property.

Thermoset polyurethanes have been applied in various fields by virtue of their outstanding properties. However, the thermosets cannot be recycled due to their permanent crosslinking structure, which exerts a detrimental influence on the environment. Recently, the upsurge in the field of covalent adaptable networks (CANs) has attracted tremendous attention. Despite many efforts being dedicated to the design of CANs, the creep resistance of CANs holds much room for further improvement at high temperature Here, we designed a kind of azine chain extender and prepared a series of dynamic polyurethane networks in varying azine proportions. The azine-containing CANs possess high creep temperature of ∼100°C attributed to the stability of the azine moieties. Besides, the azine-containing polyurethanes also exhibit outstanding mech. properties and reprocessability due to the conjugated structure and exchangeability of the azine moieties. The azine-containing polyurethanes also present good antibacterial properties as the azines are a special category of Schiff base. This work demonstrated that azine moieties could enhance the creep resistance, which is a long-term and crucial issue for dynamic covalent polyurethanes and endows the dynamic covalent polyurethane networks with excellent mech. properties and intrinsic antibacterial properties.

Materials Chemistry Frontiers published new progress about Activation energy. 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

Jin, Zheng; Zhang, Wenbo; Luo, Yuan; Li, Xiushen; Qing, Lijin; Zuo, Qiang; Fang, Junfeng; Wu, Wei published the artcile< Protective effect of Qingre Huoxue decoction against myocardial infarction via PI3K/Akt autophagy pathway based on UPLC-MS, network pharmacology, and in vivo evidence>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is qingre huoxue decoction autophagy pathway network pharmacol myocardial infarction; Qingre Huoxue decoction; UPLC-MS; network pharmacology; autophagy; myocardial infarction.

ContextQingre Huoxue (QRHX) decoction, a traditional Chinese medicine, has been widely used to prevent and treat myocardial infarction (MI). ObjectiveThis study elucidates the possible mechanisms of QRHX in preventing or treating MI in a rat model. Materials and methodsThe chem. constituents of QRHX were identified by UPLC-MS. Sprague-Dawley rats were randomly divided into the Sham (normal saline), Model (normal saline), QRHX-L, QRHX-M and QRHX-H group (n = 10 per group). QRHX decoction was administered by gavage to the rats for 14 days (5, 10 and 20 g/kg/day). The left anterior descending ligation method was performed to develop MI in Model and QRHX groups, and the same surgical procedures excluding ligation sutures were performed for the sham group. Finally, we evaluated cardiac function, myocardial fibrosis degree, serum inflammatory factors, autophagy levels and verified the signalling pathways in vivo. ResultsA total of 68 active components of QRHX corresponding to 223 active targets were obtained and 2558 MI-related disease targets were collected. After integration, 123 QRHX anti-MI targets were obtained, and 70 signalling pathways, such as PI3K/Akt, were identified by enrichment anal. In vivo experiments suggest that QRHX could reduce the degree of myocardial fibrosis, downregulate serum inflammatory factors, and promote autophagy in MI rats. Discussion and ConclusionsQRHX plays a protective role in the myocardium by mediating PI3K/Akt signalling pathway to activate autophagy and inhibiting inflammatory factor expression. These findings provide a scientific basis for further research and validation of QRHX as a potential therapeutic for MI.

Pharmaceutical Biology (Abingdon, United Kingdom) published new progress about AKT-interacting protein AKTIP Role: BSU (Biological Study, Unclassified), PAC (Pharmacological Activity), THU (Therapeutic Use), BIOL (Biological Study), USES (Uses). 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

Kovacs, K.; Eros-Takacsy, T.; Ritz, I.; Hegedus-Vajda, J. published the artcile< Determination of the impurity profile of R1/CH-13584 by an online gas chromatography/mass spectrometry method>, Application of C19H34O2, the main research area is antiasthmatic CH 13584 intermediate impurity determination; gas chromatog CH 13584 intermediate impurity; mass spectrometry CH 13584 intermediate impurity.

The impurity profile of the final intermediate in the manufacture of a new, original antiasthmatic drug candidate (CH-13584) was determined by gas chromatog./mass spectrometry. Online GC/MS identification was carried out by using electron-impact ionization. Gas chromatog. separation was performed on a fused-silica column. Identification was based on mass spectral data: fragmentation patterns and elemental composition for the selected ions as well as the NIST library search for the separated impurities. GC retention times were also considered. Reference compounds with the proposed structure were synthesized and confirmed by IR, GC/MS, and NMR data. An identical impurity profile for the certified and the GMP batches proved the reliability of the synthetic process. The possibility of a potential parallel reaction of the impurities in the final reaction step was considered.

Rapid Communications in Mass Spectrometry published new progress about Mass spectra. 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

Todo, Tomoki; Ito, Hirotaka; Ino, Yasushi; Ohtsu, Hiroshi; Ota, Yasunori; Shibahara, Junji; Tanaka, Minoru published the artcile< Intratumoral oncolytic herpes virus G47Δ for residual or recurrent glioblastoma: a phase 2 trial>, Application of C19H34O2, the main research area is intratumoral oncolytic herpes virus recurrent glioblastoma.

This investigator-initiated, phase 2, single-arm trial primarily assessed the efficacy of G47Δ, a triple-mutated, third-generation oncolytic herpes simplex virus type 1, in 19 adult patients with residual or recurrent, supratentorial glioblastoma after radiation therapy and temozolomide (UMIN-CTR Clin. Trial Registry UMIN000015995). G47Δ was administered intratumorally and repeatedly for up to six doses. The primary endpoint of 1-yr survival rate after G47Δ initiation was 84.2% (95% confidence interval, 60.4-96.6; 16 of 19). The prespecified endpoint was met and the trial was terminated early. Regarding secondary endpoints, the median overall survival was 20.2 (16.8-23.6) months after G47Δ initiation and 28.8 (20.1-37.5) months from the initial surgery. The most common G47Δ-related adverse event was fever (17 of 19) followed by vomiting, nausea, lymphocytopenia and leukopenia. On magnetic resonance imaging, enlargement of and contrast-enhancement clearing within the target lesion repeatedly occurred after each G47Δ administration, which was characteristic to this therapy. Thus, the best overall response in 2 yr was partial response in one patient and stable disease in 18 patients. Biopsies revealed increasing numbers of tumor-infiltrating CD4+/CD8+ lymphocytes and persistent low numbers of Foxp3+ cells. This study showed a survival benefit and good safety profile, which led to the approval of G47Δ as the first oncolytic virus product in Japan.

Nature Medicine (New York, NY, United States) published new progress about Adult, mammalian. 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

Lai, Xingrong; Sun, Yanhua; Zhang, Xuedi; Wang, Dan; Wang, Jialing; Wang, Haihua; Zhao, Yao; Liu, Xinling; Xu, Xin; Song, Haoran; Ping, Wenjia; Sun, Yanli; Hu, Zhenbo published the artcile< Honokiol induces ferroptosis by upregulating HMOX1 in acute myeloid leukemia cells>, Reference of 347174-05-4, the main research area is acute myeloid leukemia ferroptosis Honokiol HMOX1; AML; ferroptosis; heme oxygenase (HO)-1; honokiol; lipid peroxidation.

Acute myeloid leukemia (AML) is one of the malignant hematol. cancers with high mortality. Finding a more effective and readily available treatment is of the utmost importance. Here, we aimed to identify the anti-leukemia effect of a natural small mol. compound honokiol on a panel of AML cell lines, including THP-1, U-937, and SKM-1, and explored honokiol′s potential biol. pathways and mechanisms. The results showed that honokiol decreased the viability of the targeted AML cells, induced their cell cycle arrest at G0/G1 phase, and inhibited their colony-formation capacity. Honokiol also triggers a noncanonical ferroptosis pathway in THP-1 and U-937 cells by upregulating the level of intracellular lipid peroxide and HMOX1 significantly. Subsequent studies verified that HMOX1 was a critical target in honokiol-induced ferroptosis. These results reveal that honokiol is an effective anti-leukemia agent in AML cell lines and may be a potential ferroptosis activator in AML.

Frontiers in Pharmacology published new progress about Acute myeloid leukemia. 347174-05-4 belongs to class esters-buliding-blocks, and the molecular formula is C15H22N2O2, Reference of 347174-05-4.

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

Yousaf, Zeshan; Smith, Michael; Potluri, Prasad; Parnell, William published the artcile< Compression properties of polymeric syntactic foam composites under cyclic loading>, Application of C19H34O2, the main research area is polyurethane syntactic foam cyclic compression property.

In the present work, polymer-based syntactic foams were studied under cyclic compression in order to investigate their compressibility, recoverability, energy dissipation and damage tolerance. These syntactic foams were manufactured by adding hollow polymer microspheres of various sizes and wall thicknesses into a polyurethane matrix. The associated loading and unloading curves during cyclic testing were recorded, revealing the viscoelastic nature of the materials. SEM images of the samples were obtained in order to study potential damage mechanisms during compression. It was observed that these syntactic foams exhibit high elastic recovery and energy dissipation over a wide range of compressional strains and the addition of polymer microspheres mitigates the damage under compressional loading.

Composites, Part B: Engineering published new progress about Compressive strength. 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

Budama-Kilinc, Yasemin; Kecel-Gunduz, Serda; Ozdemir, Burak; Bicak, Bilge; Akman, Gizem; Arvas, Busra; Aydogan, Feray; Yolacan, Cigdem published the artcile< New nanodrug design for cancer therapy: Its synthesis, formulation, in vitro and in silico evaluations>, Recommanded Product: Ethyl 3-oxo-3-phenylpropanoate, the main research area is antitumor cancer; DNA binding; anticancer; coumarin derivative; molecular docking; nanoparticle.

The aim of this study was to develop a novel nanosize drug candidate for cancer therapy. For this purpose, (S)-Me 2-[(7-hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyleneamino]-3-(1H-indol-3-yl)propanoate (ND3) was synthesized by the condensation reaction of 8-formyl-7-hydroxy-4-phenylcoumarin with L-tryptophan Me ester. Its controlled release formulation was prepared and characterized by different spectroscopic and imaging methods. The cytotoxic effects of ND3 and its controlled release formulation were evaluated against MCF-7 and A549 cancer cell lines, and it was found that both of them have a toxic effect on cancer cells. For drug design and process development, the mol. docking anal. technique helps to clarify the effects of some DNA-targeted anticancer drugs to determine the interaction mechanisms of these drugs on DNA in a shorter time and at a lower cost. By using the mol. docking anal. and DNA binding assays, the interaction between the synthesized compound and DNA was elucidated and non-binding interactions were also determined To predict the pharmacokinetics, and thereby accelerate drug discovery, the absorption, distribution, metabolism, excretion and toxicity values of the synthesized compound were determined by in silico methods.

Archiv der Pharmazie (Weinheim, Germany) published new progress about Antitumor agents. 94-02-0 belongs to class esters-buliding-blocks, and the molecular formula is C11H12O3, Recommanded Product: Ethyl 3-oxo-3-phenylpropanoate.

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

Pathak, Rahul; Hendrickson, Tamara L.; Imperiali, Barbara published the artcile< Sulfhydryl Modification of the Yeast Wbp1p Inhibits Oligosaccharyl Transferase Activity>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is oligosaccharyltransferase Wbp1p protein dolichylpyrophosphoryl diacetylchitobiose cysteine.

Chem. labeling of the multimeric Saccharomyces cerevisiae oligosaccharyl transferase indicates that the 48 kDa Wbp1p subunit is an integral component of the catalytically active enzyme. The enzyme was purified following chromatog. on Con A agarose, heparin agarose, Q-Sepharose, and hydroxyapatite media. The enzyme activity copurified with a tetrameric complex of polypeptide subunits. Two of the subunits have been identified as the yeast proteins Wbp1p and Swp1p by amino-terminal residue sequencing. A third subunit was identified as a variably glycosylated polypeptide near 64 kDa; preliminary amino acid sequencing showed no identity to known yeast proteins. Modification of a cysteine residue by the reagent Me methanethiolsulfonate (MMTS) caused time-dependent and concentration-dependent inactivation of the enzyme. To identify the modified subunit of the transferase complex, the labeled reagent S-[(N-biotinoylamino)ethyl] methanethiolsulfonate (BMTS) was synthesized. Like MMTS, BMTS inactivated the oligosaccharyl transferase in a time-dependent manner. Addnl., incubation with the substrate (dolichylpyrophosphoryl)-N,N’-diacetylchitobiose [Dol-PP(GlcNAc)2] protected the enzyme from BMTS inactivation. When the purified enzyme complex was incubated with BMTS, Wbp1p alone was specifically labeled, thereby associating this subunit with catalysis and the binding of the dolichylpyrophosphoryl oligosaccharide substrate in the transferase reaction.

Biochemistry published new progress about Enzyme functional sites. 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

Wang, Meilin; Yao, Dawei; Li, Antai; Yang, Youwei; Lv, Jing; Huang, Shouying; Wang, Yue; Ma, Xinbin published the artcile< Enhanced Selectivity and Stability of Cu/SiO2 Catalysts for Dimethyl Oxalate Hydrogenation to Ethylene Glycol by Using Silane Coupling Agents for Surface Modification>, Recommanded Product: Ethyl 2-hydroxyacetate, the main research area is selectivity copper SiO2 catalyst dimethyl oxalate hydrogenation.

Hydrogenation of di-Me oxalate (DMO) is one of the key steps in the route of ethylene glycol (EG) production from syngas. Cu/SiO2 catalysts prepared by ammonia evaporation method are reported to present excellent catalytic performance for selective DMO hydrogenation and used in the industry. However, the selectivity of EG and the long-term stability of catalysts still require improvement. Herein, we used silane coupling agents to selectively and efficiently cover the surface isolated hydroxyl groups on Cu/SiO2 by post-grafting method, which exhibited a prominently promotion effect on reducing the selectivity of byproducts (C3-C4OH) and enhancing the catalytic stability. Characterization results suggested that both the d. and intensity of the basic sites decreased significantly after the coverage of hydroxyl groups, resulting in the reduction of C3-C4OH selectivity, thus increasing the EG selectivity. Meanwhile, the coke and blocked pore structure induced by excessive Me glycolate (MG) adsorption and polymerization on surface hydroxyl groups could be the main reason for catalyst deactivation. After the surface modification, MG desorption was greatly facilitated, which improved the stability in DMO hydrogenation. Furthermore, the effect of different silane coupling agents ended with amino or alkyl groups was studied as well. These insights concerning the effect of covering hydroxyl groups by silane coupling agents on selectivity and stability may provide practical guidance for the design and fabrication of Cu/SiO2 catalysts for the industrial application.

Industrial & Engineering Chemistry Research published new progress about Binding energy. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Recommanded Product: Ethyl 2-hydroxyacetate.

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