Category: 112-63-0

Tong, Guanghu; Zhu, Bo; Lee, Richmond; Yang, Wenguo; Tan, Davin; Yang, Caiyun; Han, Zhiqiang; Yan, Lin; Huang, Kuo-Wei; Jiang, Zhiyong published the artcile< Highly Enantio- and Diastereoselective Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Allyl Ketones>, Reference of 112-63-0, the main research area is enantioselective diastereoselective allylic alkylation MBH carbonate allyl ketone; Morita Baylis Hillman carbonate enantioselective diastereoselective allylic alkylation; regioselective allylic alkylation MBH carbonate allyl ketone.

The asym. allylic alkylation of Morita-Baylis-Hillman (MBH) carbonates with allyl ketones has been developed. The α-regioselective alkylation adducts, containing a hexa-1,5-diene framework with important synthetic value, were achieved in up to 83% yield, >99% ee, and 50:1 dr by using a com. available Cinchona alkaloid as the catalyst (e.g., I + II → III). From the allylic alkylation adduct, a cyclohexene bearing two adjacent chiral centers was readily prepared (III → IV).

Journal of Organic Chemistry published new progress about Alkadienes 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, Reference of 112-63-0.

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

Algahtani, Mohammad; Natarajan, Umamaheswari; Alhazzani, Khalid; Alaseem, Ali; Rathinavelu, Appu published the artcile< Evaluation of anti-angiogenic agent F16 for targeting glioblastoma xenograft tumors>, Synthetic Route of 112-63-0, the main research area is glioblastoma multiforme VEGFR F16 antiangiogenic antitumor; Anti-angiogenic; Anti-tumor; F16; Glioblastoma; TMZ; VEGFR-2; Xenograft.

Glioblastoma Multiforme (GBM) is one of the most aggressive and lethal types of all cancers, with an average 5-yr survival rate of 5%. Since GBM tumors are highly vascularized tumors, and their growth is angiogenesis-dependent, antagonizing tumor angiogenesis by using angiogenesis inhibitors were considered as one of the promising approaches. In this context, intensive preclin. evaluation of a novel small mol. named F16 has exhibited potent anti-angiogenic and anti-tumor activities by selectively antagonizing Vascular Endothelial Growth Factor Receptor (VEGFR). Also, recent pharmacokinetic evaluation of F16 with tissue distribution anal. has shown that this mol. is transported across the blood-brain barrier (BBB) and accumulates in the brain regions with no signs of neurotoxicity. Therefore, further studies were conducted to determine the efficacy of F16 in delaying glioblastoma progression via inhibiting tumor angiogenesis. Our in vitro studies have clearly demonstrated the ability of F16 to inhibit migration and invasion of U87MG cells and also confirmed a potent cytotoxic effect against these cells in comparison to Temozolomide (TMZ). Our in vivo studies with the s.c. implanted (s.c.) xenograft tumor model and in vitro studies have clearly demonstrated the ability of F16 to delay tumor growth and inhibit migration and invasion.

Cancer Genetics published new progress about Angiogenesis. 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

Cheng, Meixiong; Wang, Qi; Chen, Longyi; Zhao, Dongdong; Tang, Jian; Xu, Jianguo; He, Zongze published the artcile< LncRNA UCA1/miR-182-5p/MGMT axis modulates glioma cell sensitivity to temozolomide through MGMT-related DNA damage pathways>, HPLC of Formula: 112-63-0, the main research area is temozolomide anticancer agent UCA1 MGMT miR1825p glioma viability glioblastoma; Glioblastoma (GBM); LncRNA UCA1; MGMT; Temozolomide (TMZ); miR-182-5p.

Glioblastoma (GBM) is the most malignant subtype of gliomas. GBM resistance to temozolomide (TMZ) remains a huge challenge. O6-methylguanine-DNA methyltransferase (MGMT) is mainly responsible for repairing DNA alkylation damage caused by alkylating drugs such as TMZ; therefore, it has been regarded as the major cause of the resistance to TMZ. Hematoxylin and eosin (H&E) and immunohistochem. (IHC) staining were performed in tissue sections. LncRNA urothelial cancer-associated 1 (UCA1) knockdown was conducted via the transfection of the plasmid containing small interfering RNA (siRNA) targeting lncRNA UCA1. Cell viability and apoptosis were examined using MTT assay and flow cytometry. Nude mouse tumorigenicity assay was performed to detect tumor formation in vivo. MGMT expression and lncRNA UCA1 expression were increased in high-grade glioma tissues and cells. UCA1 knockdown in glioma cells enhanced TMZ efficacies in affecting glioma cell viability, cell apoptosis, MGMT protein level, and DNA damage markers in vitro, as well as tumorigenesis in vivo. Moreover, miR-182-5p targeted UCA1 and MGMT; miR-182-5p inhibited MGMT expression. Similar to UCA1 knockdown, miR-182-5p overexpression also promoted TMZ effects on glioma cell phenotype, MGMT expression level, and the levels of DNA damage markers. Under TMZ treatment, the efficacies of UCA1 knockdown in MGMT expression level and glioma cell sensitivity to TMZ were notably reversed after miR-182-5p overexpression. Taken together, we demonstrate the lncRNA UCA1/miR-182-5p/MGMT axis modulates glioma cell sensitivity to TMZ via MGMT-related DNA damage pathways.

Human Pathology published new progress about Antitumor agents. 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

Al-Saadi, Abdulaziz A. published the artcile< Understanding the Influence of Electron-Donating and Electron-Withdrawing Substituents on the Anticorrosive Properties of Imidazole: A Quantum-Chemical Approach>, Electric Literature of 112-63-0, the main research area is imidazole substituent effect protonation mol structure HOMO LUMO.

The nature and position of electron-donating and electron-withdrawing substituents are believed to play a major role on the corrosion inhibition properties in small organic mols. In this study, the substituent effect on the imidazoles anticorrosive properties has been explored theor. using the d. functional theory performed at the B3LYP/6-311++G(d,p) level. A wide spectrum of substituents including NH2, COOH, I, Br, Cl, F, CN, F, OH, OCH3, NO2, C6H5 and SH groups has been explored in the aqueous medium, and the different possible substitution positions have been investigated. Frontier MOs and quantum-chem. reactivity descriptors were calculated for the neutral and protonated forms of imidazole derivative While the energy gaps, electronegativity and global hardness values showed a very good agreement with the corrosion inhibition performance reported from previous exptl. work for imidazoles, the electrophilicity and mol. volume parameters were found less consistent. This study concluded that the amino and nitro groups, in particular those at C2 and C4 positions, exhibit prominent corrosion inhibition performance. The electron-releasing Ph and methoxy substituents could also play a potential role in enhancing the anticorrosive properties of imidazole.

Arabian Journal for Science and Engineering published new progress about Atomic charge. 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

Alizadeh, Nima; Barde, Mehul; Minkler, Michael; Celestine, Asha-Dee; Agrawal, Vinamra; Beckingham, Bryan; Auad, Maria L. published the artcile< High-fracture-toughness acrylic-polyurethane-based graft-interpenetrating polymer networks for transparent applications>, Formula: C19H34O2, the main research area is fracture toughness acrylic polyurethane graft interpenetrating polymer network.

Transparent materials with robust mech. properties are essential for numerous applications and require careful manipulation of polymer chem. Here, polyurethane (PU) and acrylic-based copolymers out of styrene were utilized to synthesize transparent PU-acrylic graft-interpenetrating polymer networks (graft-IPNs) for the first time. In these materials, PU imparts greater flexibility, while the acrylic copolymer increases rigidity and glass transition temperature of the graft-IPNs. Kinetics of the graft-IPN synthesis was monitored using Fourier transform IR spectroscopy and 1H NMR spectroscopy through the conversion of the isocyanate group. System compatibility, degree of phase separation and material transparency were evaluated using transmission electron microscopy and UV-visible spectroscopy. Overall, higher compatibility is observed at a higher percentage of styrene in the acrylate copolymer. The thermomech. properties of the IPNs were quantified using dynamic mech. anal. to assess the effect of the acrylic copolymer content on fracture toughness of the resulting graft-IPNs. The high fracture toughness of the graft-IPNs, coupled with excellent transparency, demonstrates the potential of these systems for high-performance applications. 2020 Society of Industrial Chem.

Polymer International published new progress about Complex modulus, tan δ. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

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

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

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

Thio, Joanne P.; Liang, Christopher; Bajwa, Alisha K.; Wooten, Dustin W.; Christian, Bradley T.; Mukherjee, Jogeshwar published the artcile< Synthesis and evaluation of mefway analogs as ligands for serotonin 5HT1A receptors [Erratum to document cited in CA162:314486]>, Application In Synthesis of 112-63-0, the main research area is erratum mefway analog preparation serotonin 5HT1A receptor ligand.

On page 1483, Figure 1 incorrectly showed a cyclohexyl ketone instead of cyclohexyl ester in structures 11, 12, and 13; the corrected figure is given.

Medicinal Chemistry Research published new progress about 5-HT1A receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Petri, Laszlo; Egyed, Attila; Bajusz, David; Imre, Timea; Hetenyi, Anasztazia; Martinek, Tamas; Abranyi-Balogh, Peter; Keseru, Gyorgy M. published the artcile< An electrophilic warhead library for mapping the reactivity and accessibility of tractable cysteines in protein kinases>, Application of C19H34O2, the main research area is protein kinase inhibitor drug discovery; JAK3; Kinase cysteome profiling; MELK; Small-molecule kinase inhibitors; Targeted covalent inhibitors; Warhead selection.

Targeted covalent inhibitors represent a viable strategy to block protein kinases involved in different disease pathologies. Although a number of computational protocols have been published for identifying druggable cysteines, exptl. approaches are limited for mapping the reactivity and accessibility of these residues. Here, we present a ligand based approach using a toolbox of fragment-sized mols. with identical scaffold but equipped with diverse covalent warheads. Our library represents a unique opportunity for the efficient integration of warhead-optimization and target-validation into the covalent drug development process. Screening this probe kit against multiple kinases could exptl. characterize the accessibility and reactivity of the targeted cysteines and helped to identify suitable warheads for designed covalent inhibitors. The usefulness of this approach has been confirmed retrospectively on Janus kinase 3 (JAK3). Furthermore, representing a prospective validation, we identified Maternal embryonic leucine zipper kinase (MELK), as a tractable covalent target. Covalently labeling and biochem. inhibition of MELK would suggest an alternative covalent strategy for MELK inhibitor programs.

European Journal of Medicinal Chemistry published new progress about Drug discovery. 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