Category: 112-63-0

Bollini, Mariela; Domaoal, Robert A.; Thakur, Vinay V.; Gallardo-Macias, Ricardo; Spasov, Krasimir A.; Anderson, Karen S.; Jorgensen, William L. published the artcile< Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents>, Quality Control of 112-63-0, the main research area is catechol ether anti HIV reverse transcriptase inhibitor computational optimization.

A 5-μM docking hit has been optimized to an extraordinarily potent (55 pM) non-nucleoside inhibitor of HIV reverse transcriptase. Use of free energy perturbation (FEP) calculations to predict relative free energies of binding aided the optimizations by identifying optimal substitution patterns for Ph rings and a linker. The most potent resultant catechol diethers feature terminal uracil and cyanovinylphenyl groups. A halogen bond with Pro95 likely contributes to the extreme potency of compound 42 (I). In addition, several examples are provided illustrating failures of attempted grafting of a substructure from a very active compound onto a seemingly related scaffold to improve its activity.

Journal of Medicinal Chemistry published new progress about AIDS (disease). 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

Nogales-Delgado, Sergio; Encinar Martin, Jose Maria; Sanchez Ocana, Mercedes published the artcile< Use of mild reaction conditions to improve quality parameters and sustainability during biolubricant production>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is safflower oil biolubricant production oxidative stability biodegradability sustainability viscosity.

The use of alternative sources to produce less pollutant biofuels and biomaterials, replacing petroleum-derived products, is becoming an important issue for international organizations, governments, and society. Thus, biodiesel and biolubricant production has been increasingly researched, offering promising results. These products present some advantages such as sustainability or biodegradability, among others. However, some of their quality parameters can be altered during storage, mainly due to their low oxidative stability. Consequently, auto-oxidation processes can take place, increasing viscosity or acid number, which can compromise their marketability. To avoid these inconveniences, some alternatives have been presented, such as the use of antioxidants, vegetable oil selection or the promotion of mild chem. conditions during production The aim of this work was to assess the use of vacuum during biolubricant production from high-oleic safflower oil through double transesterification with methanol and 2-ethyl-2-(hydroxymethyl)-1,3-propanediol to obtain mild chem. conditions. Under these circumstances (working pressure at 210 mmHg) and compared to previous studies, temperature and catalyst addition could be reduced from 140 to 100°C and from 0.5 to 0.3%, resp., increasing the reaction yield from 92.9 to 94.69% and improving the quality of the biolubricant, with 30% increase in viscosity index.

Biomass and Bioenergy published new progress about Antioxidants. 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

Mutlu, Tutku; Demir-Cakan, Rezan published the artcile< Carbonate or ether based electrolyte for Li-Se batteries: An in-situ study of intermediate polyselenide formation>, Application In Synthesis of 112-63-0, the main research area is carbonate ether electrolyte lithium selenium battery intermediate polyselenide formation.

Li-Se batteries have recently been considered as one of the most promising battery systems to satisfy the future energy storage needs. However, to further improve the electrochem. cell performances, understanding of the Li-Se cell working mechanism, especially focusing on the formation of dissolved Li polyselenides, is essential. An in-situ study of intermediate polyselenide formation based on the 4-electrode cycling voltammetry (CV) and 3-electrode electrochem. impedance spectroscopy (EIS) were used to detect the existence of polyselenides in carbonate and ether-based electrolytes. CV measurements reveal dissolved polyselenide intermediate formations in ether-based solvent while no signatures are observed in carbonate-based electrolytes. Similar findings are also observed by EIS measurements as well as studying the self-discharge behavior. Therefore, these two electrochem. characterizations can be easily implemented as prompt and cost-effective techniques to study the impact of the electrolyte solvents. Contrary to the Li-S counterparts, the outcome of the work suggests that carbonate-based electrolytes can be simply employed in the field of Li-Se batteries.

Electrochimica Acta published new progress about Battery electrolytes. 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

Modrocka, Viktoria; Veverkova, Eva; Baran, Rastislav; Sebesta, Radovan published the artcile< Enantioselective Synthesis of 2,3-Dihydrofurocoumarins by Squaramide-Catalyzed Michael Addition/Cyclization of 4-Hydroxycoumarins with β-Nitrostyrenes>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is hydroxycoumarin nitrostyrene squaramide organocatalyst enantioselective diastereoselective Michael addition heterocyclization; hydroxyimino phenyl furochromenone preparation.

The enantioselective synthesis of chiral 2,3-dihydrofurocoumarins by squaramide-catalyzed Michael addition of 4-hydroxycoumarins to β-nitrostyrenes, followed by a cyclization reaction was described. A coumarin moiety was present in many chiral bioactive compounds, but the organocatalysis has still not reached its full potential in the synthesis of chiral coumarins. Squaramide catalysts comprising two chiral units, (S)-phenylethylamine and cyclohexane-1,2-diamine was used. These catalysts showed high reactivity and enantioselectivity in this transformation. Following this procedure, a series of 2,3-dihydrofurocoumarin derivatives in 47-93% yields and enantiomeric purities in the range of 78-94% ee were prepared Polystyrene-immobilized squaramide catalyst performed well for the initial two reaction cycles but then slowly degraded. The absolute configuration of 2,3-dihydrofurocoumarin products was determined by the comparison of the exptl. and d. functional theory-calculated electronic CD spectra.

ChemistrySelect published new progress about Circular dichroism. 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

Zhao, Kai; Schaefer, Agnes; Zhang, Zhuo; Elsaesser, Katharina; Culmsee, Carsten; Zhong, Li; Pagenstecher, Axel; Nimsky, Christopher; Bartsch, Joerg W. published the artcile< Inhibition of Carbonic Anhydrase 2 Overcomes Temozolomide Resistance in Glioblastoma Cells>, HPLC of Formula: 112-63-0, the main research area is temozolomide anticancer agent carbonic anhydrase2 glioblastoma; GBM recurrence; GBM stem-like cells; acetazolamide; autophagy; brinzolamide; carbonic anhydrase 2; chemoresistance; glioblastoma; temozolomide.

About 95% of Glioblastoma (GBM) patients experience tumor relapse as a consequence of resistance to the first-line standard chemotherapy using temozolomide (TMZ). Recent studies reported consistently elevated expression levels of carbonic anhydrase CA2 in recurrent glioblastoma and temozolomide-resistant glioblastoma stem-like cells (GSCs). Here we show that CA2 is preferentially expressed in GSCs and upregulated by TMZ treatment. When expressed in GBM cell lines, CA2 exerts significant metabolic changes reflected by enhanced oxygen consumption and increased extracellular acidification causing higher rates of cell invasion. Notably, GBM cells expressing CA2 respond to combined treatment with TMZ and brinzolamide (BRZ), a non-toxic and potent CA2 inhibitor. Interestingly, brinzolamide was more effective than the pan-CA inhibitor Acetazolamide (ACZ) to sensitize naive GSCs and TMZ-resistant GSCs to TMZ induced cell death. Mechanistically, we demonstrated that the combined treatment of GBM stem cells with TMZ and BRZ caused autophagy of GBM cell lines and GSCs, reflected by enhanced LC3 cleavage (LC3-II) and p62 reduction Our findings illustrate the potential of CA2 as a chemo-sensitizing drug target in recurrent GBM and propose a combined treatment of TMZ with CA2 inhibitor to tackle GBM chemoresistance and recurrence.

International Journal of Molecular Sciences published new progress about Acidification. 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

Kakoee, Alireza; Gharehghani, Ayat; Mostafei, Mohsen published the artcile< Development of a reduced chemical kinetic mechanism for biodiesel/natural gas mixture>, Electric Literature of 112-63-0, the main research area is methyl palmitate heptane chem kinetics one dimensional model.

Biodiesel as an alternative fuel for diesel in compression ignition engines cab be used directly to this type of engine without any significant changes in geometry. Some neg. points of biodiesel in compression ignition (CI) engines such as high viscosity, injector carbonize and high NOx emissions cause to use this fuel with other fuels such as alc. fuels and natural gas based on desired properties of second fuel. Numerical study of fuels such as biodiesel needs to have a chem. kinetic mechanism that can predict combustion characteristics and output emissions. In this study, a reduced detailed mechanism of biodiesel introduced by Zhang et al. is chosen to merged with natural gas GRI-Mech 3.0 mechanism to obtain a chem. kinetic mechanism of biodiesel/natural gas. Direct relation graph with error propagation (DRGP) method and consequently sensitivity anal. was employed to 525 reactions and 126 species that modified with highly sensitive reactions. At first, reduced mechanism of biodiesel/natural gas compared with merged mechanism of these fuels’ mixture with 0-Dimension simulation of ignition delay and 1-Dimension simulation of flame speed. Obtained results show error less than 1% for all intake temperatures and equivalence ratios. In the following, the reduced mechanism with zero percent of natural gas compared with original biodiesel mechanism. Yet again, results show errors almost near zero in lower equivalence ratio and acceptable error, in maximum condition about 10%, in moderate and high equivalence ratios (ERs) during predicting ignition delay with 0-Dimension simulation. Also, flame speed in this evaluation shows less than 2% error in 1-Dimension simulation.

Fuel published new progress about Biodiesel fuel. 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

Kelly, Martha J.; Pietranico-Cole, Sherrie; Larigan, J. Douglas; Haynes, Nancy-Ellen; Reynolds, Charles H.; Scott, Nathan; Vermeulen, John; Dvorozniak, Mark; Conde-Knape, Karin; Huang, Kuo-Sen; So, Sung-Sau; Thakkar, Kshitij; Qian, Yimin; Banner, Bruce; Mennona, Frank; Danzi, Sara; Klein, Irwin; Taub, Rebecca; Tilley, Jefferson published the artcile< Discovery of 2-[3,5-Dichloro-4-(5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yloxy)phenyl]-3,5-dioxo-2,3,4,5-tetrahydro[1,2,4]triazine-6-carbonitrile (MGL-3196), a Highly Selective Thyroid Hormone Receptor β Agonist in Clinical Trials for the Treatment of Dyslipidemia>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is tetrahydrotriazinecarbonitrile derivative MGL3196 thyroid hormone receptor agonist dyslipidemia treatment.

The beneficial effects of thyroid hormone (TH) on lipid levels are primarily due to its action at the thyroid hormone receptor β (THR-β) in the liver, while adverse effects, including cardiac effects, are mediated by thyroid hormone receptor α (THR-α). A pyridazinone series has been identified that is significantly more THR-β selective than earlier analogs. Optimization of this series by the addition of a cyanoazauracil substituent improved both the potency and selectivity and led to MGL-3196 (53), which is 28-fold selective for THR-β over THR-α in a functional assay. Compound 53 showed outstanding safety in a rat heart model and was efficacious in a preclin. model at doses that showed no impact on the central thyroid axis. In reported studies in healthy volunteers, 53 exhibited an excellent safety profile and decreased LDL cholesterol (LDL-C) and triglycerides (TG) at once daily oral doses of 50 mg or higher given for 2 wk.

Journal of Medicinal Chemistry published new progress about Anticholesteremic agents. 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

Jablonowski, Jill A.; Grice, Cheryl A.; Chai, Wenying; Dvorak, Curt A.; Venable, Jennifer D.; Kwok, Annette K.; Ly, Kiev S.; Wei, Jianmei; Baker, Sherry M.; Desai, Pragyna J.; Jiang, Wen; Wilson, Sandy J.; Thurmond, Robin L.; Karlsson, Lars; Edwards, James P.; Lovenberg, Timothy W.; Carruthers, Nicholas I. published the artcile< The First Potent and Selective Non-Imidazole Human Histamine H4 Receptor Antagonists>, Quality Control of 112-63-0, the main research area is indole derivative preparation histamine H4 receptor antagonist structure activity.

Following the discovery of the human histamine H4 receptor, a high throughput screen of our corporate compound collection identified a potential lead compound Investigation of the structure-activity relationship (SAR) resulted in the discovery of novel compounds, which are the first potent and selective histamine H4 receptor antagonists to be described.

Journal of Medicinal Chemistry published new progress about Antihistamines. 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

Paulo, Pedro M. R.; Laia, Cesar A. T.; Costa, Silvia M. B. published the artcile< Clusters in Polymer-Surfactant AOT Microemulsions Probed by Excited State Quenching Kinetics>, Formula: C19H34O2, the main research area is dynamics PEG bisethylhexyl sulfosuccinate surfactant cluster microemulsion quenching kinetics; fluorescence quenching laser flash photolysis dynamics polymer surfactant microemulsion.

Excited-state quenching kinetics were applied to sodium 1,4-bis(2-ethylhexyl)sulfosuccinate (AOT) reversed micelles with poly(oxy)ethylene (POE) of mol. weight 35 000 Da where clusters were previously detected [Laia, C. A. T., et al, 2000]. The data obtained in AOT reversed micelles, with a fixed value of the molar ratio of water to surfactant (w0 = [H2O]/[AOT]) w0 = 20, were compared in the absence and presence of the polymer. Two reaction time scales were studied with different probes: 1,3,6,8-pyrenetetrasulfonic acid (PTSA) in the nanosecond range and Cr(bpy)33+ in the microsecond range, using, resp., time-resolved fluorescence with picosecond resolution and laser flash photolysis techniques. The exptl. decays were analyzed assuming two components, one due to polymer-free micelles described by a Poisson distribution model kinetics and another associated with the polymer-induced micelle clusters, analyzed according to a model based on the concept of random walks in regular compact lattices. A step frequency, kw = 107 s-1, was extracted from the nanosecond results for the quencher’s random walk within the cluster. By contrast, the triplet absorption quenching studies did not distinguish between free micelles and clusters and afforded an aggregation number for the former in the range 260 ± 40, in good agreement with literature data. Decay simulations confirm the validity of the data treatment used in the nanosecond range, but the short time behavior predicted in the microsecond range was not observed within the equipment time resolution

Journal of Physical Chemistry B published new progress about Anionic surfactants. 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

Cheng, Yunlei; Cao, Youming published the artcile< Synthesis of imine carboxylic acid chelating resin>, COA of Formula: C19H34O2, the main research area is bromostyrene divinylbenzene copolymer diethyl iminodiacetate reaction chelating resin synthesis.

An imine carboxylic acid chelating resin was synthesized via suspension polymerization with 1, 2-divinyl benzene (o-DVB) and iminodiacetic acid di-Et ester as feedstock, polyethylene glycol as emulsifier, NaCl water solution as dispersed phase, and toluene as oil phase solvent. The functional group and morphol. of the product were characterized, and the impact of bromide time, initiator, mole ratio of feedstock on yield of brominated polystyrene were observed as well. The yield of brominated polystyrene increases and then decreases with the increasing of bromide time, and the optimal bromide time is 45 min; it also surges then drops slightly with the initiator increasing and reaches the peak of 72% when the initiator is 0.18 g; the yield of the product follows the increasing of the mole ratio of o-DVB and brominated DVB, while the destiny of functional group is decreased. There the more the initiator are, the smaller the particle of brominated polystyrene becomes, and the greater granulation rate achieves.

Hecheng Shuzhi Ji Suliao published new progress about Bromination. 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