Tag: M.W=250-300

Yang, Dandan; Huang, Hai; Li, Meng-Hui; Si, Xiao-Ju; Zhang, He; Niu, Jun-Long; Song, Mao-Ping published the artcile< Directed Cobalt-Catalyzed anti-Markovnikov Hydroalkylation of Unactivated Alkenes Enabled by ""Co-H"" Catalysis>, Product Details of C19H34O2, the main research area is direct cobalt catalyst anti Markovnikov hydroalkylation unactivated alkene.

The earth-abundant cobalt-catalyzed anti-Markovnikov hydroalkylation of unactivated alkenes with oxime esters was achieved by introducing an 8-aminoquinoline directing group on the alkenes. The catalytic system, consisting of com. available Co(acac)3 and PhMeSiH2, enables the construction of unfunctionalized C(sp3)-C(sp3) bonds and features exclusive anti-Markovnikov selectivity, good functional group tolerance, and the avoidance of an extra ligand, oxidant, or base. Mechanistic insight into this new catalytic system indicates the involvement of both alkyl radical and cobalt hydride intermediates.

Organic Letters published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Berger, Michael L.; Schoedl, Clemens; Noe, Christian R. published the artcile< Benzimidazole-type glycine antagonists: the role of the ring nitrogen atoms>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is benzimidazole preparation glycine antagonist.

Several derivatives of 1H-benzimidazole-2-carboxylic acid (BICA, I) were tested in vitro in comparison to 1H-indole-2-carboxylic acid (ICA, II) for their ability to displace [3H]glycine from rat hippocampal membranes. Compound I was 8 times more potent than II (Ki 5.3 μM, as compared to 42 μM). However, introduction of a carboxymethyl group or a corresponding ester at position 3 had no pos. effect on the potency of I, while this type of structural modification increased the potency of II significantly. Nevertheless, 1-carboxymethyl-BICA displaced [3H]glycine with similar potency as the corresponding 3-carboxymethyl-ICA, indicating that a nitrogen atom lacking a hydrogen atom can be engaged in glycine receptor interaction. N-Methylation strongly reduced the potencies of both BICA and ICA derivatives

Archiv der Pharmazie (Weinheim, Germany) published new progress about Glutamate receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gomez, Montserrat published the artcile< Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds>, Electric Literature of 112-63-0, the main research area is heterocyclic compound preparation; amine halide aryl alkyne carbonylative coupling intramol cyclization; palladium nanoparticle glycerol catalyst.

The palladium nanoparticles immobilized in a glycerol phase have been successfully applied in multi-step synthesis of N- and O-containing heterocycles, e.g., I and e.g., II by means of Pd-catalyzed one-pot protocols in glycerol medium. The dual homogeneous/heterogeneous catalytic behavior of Pd nanoparticles, sequential coupling/cyclization/hydrogenation transformations were efficiently carried out, without isolation of intermediates. The Pd-based catalytic glycerol phase was recycled up to ten times preserving its activity and selectivity. This is the first synthesis of heterocycles using palladium nanoparticles immobilized in a liquid phase catalyst.

Organic Chemistry Frontiers published new progress about Alkynes Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Garcia, Jordi; Vilarrasa, Jaume published the artcile< Fluoro azoles. An MNDO-SCF-MO study>, Formula: C19H34O2, the main research area is fluoro azole MNDO SCF MO; nitrogen heterocycle fluoro MNDO MO; heat formation fluoro azole; dipole moment fluoro azole; tautomerism fluoro azole; electron configuration fluoro azole; NMR fluoro azole.

MNDO calculations are reported for 43 fluorine-containing nitrogenated five-membered rings. The available exptl. data, on fluoropyrazoles and other fluoro azoles, correlate quite well with the calculated energies and charge distributions.

Heterocycles published new progress about Dipole moment. 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

Gaudencio, Susana P.; Pereira, Florbela published the artcile< A computer-aided drug design approach to predict marine drug-like leads for SARS-CoV-2 main protease inhibition>, Application of C19H34O2, the main research area is computer aided drug SARS CoV protease inhibition; actinomycetes; drug discovery; machine learning (ML) techniques; main protease enzyme (Mpro); marine natural products (MNPs); molecular docking; quantitative structure–activity relationship (QSAR); severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2); virtual screening.

The investigation of marine natural products (MNPs) as key resources for the discovery of drugs to mitigate the COVID-19 pandemic is a developing field. In this work, computer-aided drug design (CADD) approaches comprising ligand- and structure-based methods were explored for predicting SARS-CoV-2 main protease (Mpro) inhibitors. The CADD ligand-based method used a quant. structure-activity relationship (QSAR) classification model that was built using 5276 organic mols. extracted from the ChEMBL database with SARS-CoV-2 screening data. The best model achieved an overall predictive accuracy of up to 67% for an external and internal validation using test and training sets. Moreover, based on the best QSAR model, a virtual screening campaign was carried out using 11,162 MNPs retrieved from the Reaxys database, 7 inhouse MNPs obtained from marine-derived actinomycetes by the team, and 14 MNPs that are currently in the clin. pipeline. All the MNPs from the virtual screening libraries that were predicted as belonging to class A were selected for the CADD structure-based method. In the CADD structure-based approach, the 494 MNPs selected by the QSAR approach were screened by mol. docking against Mpro enzyme. A list of virtual screening hits comprising fifteen MNPs was assented by establishing several limits in this CADD approach, and five MNPs were proposed as the most promising marine drug-like leads as SARS-CoV-2 Mpro inhibitors, a benzo[f]pyrano[4,3-b]chromene, notoamide I, emindole SB beta-mannoside, and two bromoindole derivatives

Marine Drugs published new progress about Antiviral agents. 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

Gulick, Wilsom M. Jr.; Geske, David H. published the artcile< Examination of phosphorus hyperfine coupling constants in nitroaromatic anion radicals>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is .

The electron spin resonance spectra of the anion radicals produced by electrochem. reduction of diethyl 4-nitrophenyl phosphate (I), O O-diethyl O-4-nitrophenyl thiophosphate, diethyl 4-nitrobenzyl phosphonate (II), diphenyl 4-nitrophenyl phosphate, diphenyl 2,6-dimethyl-4-nitrophenyl phosphate, bis(4-methylphenyl) 4-nitrophenyl phosphate, and bis(2-methylphenyl) 4-nitrophenyl phosphate have been examined In every case, unequivocal assignment of a 31P hyperfine coupling constant, aP, was possible. The magnitude of aP varied from 7.05 gauss for the radical derived from I in acetonitrile to 17.51 gauss for the radical derived from II in HCONMe2. In all cases, the values of the N and nitrophenyl ring proton coupling constants remained closely similar to those observed for nitrobenzene anion. The variation in values of aP suggests that steric effects as well as inductive effects influence the 31P coupling constant in these radicals and that at least some contribution of a hyperconjugative mechanism is likely for transmission of unpaired spin to the P atom.

Journal of the American Chemical Society published new progress about Magnetic resonance. 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

Wynn, Daniel; Lategan, Thomas W; Sprague, Tiffany N; Rousseau, Franck S; Fox, Edward J published the artcile< Monomethyl fumarate has better gastrointestinal tolerability profile compared with dimethyl fumarate.>, Formula: C19H34O2, the main research area is .

BACKGROUND: Monomethyl fumarate (MMF) is the pharmacologically active metabolite of dimethyl fumarate (DMF). MMF formulated as Bafiertam™ 190 mg and DMF formulated as Tecfidera 240 mg deliver bioequivalent exposure of MMF and therefore possess the same efficacy/safety profiles. DMF is a widely used oral treatment for relapsing-remitting forms of multiple sclerosis (RRMS) but is limited in some patients, primarily female, by issues with gastrointestinal (GI) tolerability. METHODS: This was a randomized, double-blind, head-to-head, 5-week study evaluating the GI tolerability of MMF 190 mg vs DMF 240 mg, administered twice daily in healthy subjects, using a derivative of the self-administered Modified Overall Gastrointestinal Symptom Scale (MOGISS). Subjects were stratified (3:1, female:male) and randomized (1:1) to the treatments. The primary endpoint was the Area Under the Curve (AUC) in each of the individual symptoms in the MOGISS over the 5-week treatment period. Other endpoints included the AUC over the 5-week treatment period in the MOGISS composite and total scores; duration and severity of GI events; Number and percentage of subjects reporting GI events during the overall treatment period, and assessment of safety/tolerability. RESULTS: Inferential analysis of the hierarchical testing of overall treatment differences in each MOGISS symptom AUC occurred in a predefined sequence starting with Abdominal Pain. For each symptom, LSMean AUC values were lower for MMF than DMF, however, the first primary endpoint, Abdominal Pain, was not statistically different between treatments; thus, all subsequent statistical analyses were considered exploratory. The side effects and safety profiles observed were consistent with the known profiles of DMF, with no new or unique safety concerns noted. CONCLUSIONS: Bafiertam showed an improved gastrointestinal tolerability profile compared with Tecfidera, with less severe GI events and fewer days of self-assessed GI symptoms, fewer GI adverse events, and lower discontinuation rates because of GI adverse events.

Multiple sclerosis and related disorders published new progress about 112-63-0. 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

Ankita; Chand, Dinesh; Nain, Anil Kumar published the artcile< Molecular interactions of drug semicarbazide hydrochloride in aqueous-D-xylose/L-arabinose solutions at different temperatures: Volumetric, acoustic and viscometric study>, Electric Literature of 112-63-0, the main research area is semicarbazide hydrochloride xylose arabinose solution mol interaction viscosity.

The interactions of drug semicarbazide hydrochloride in water and in aqueous-carbohydrate (D-xylose/L-arabinose) solutions from their physicochem. behavior are studied. D., ρ, ultrasonic speed, u and viscosity, η of the drug semicarbazide hydrochloride in water and in aqueous-D-xylose/L-arabinose (5 wt% and 10 wt% of D-xylose/L-arabinose in water, weight/weight) solvents were measured as functions of concentrations at temperatures, T = (293.15 – 318.15) K and at atm. pressure, p = 101 kPa. The measured data have been utilized to calculate various properties like the apparent molar volume, Vφ from d. measurements while apparent molar compressibility, Ks,ϕ, acoustic impedance, Z and intermol. free length, Lf from ultrasonic speed measurements. The values obtained from these parameters indicate strong solute-solvent interactions within the solutions The viscosity data have been analyzed using Jones-Dole equation and coefficients A and B were evaluated. The temperature derivative of B-coefficient, dB/dT together with activation parameters of viscous flow have also been determined The results are discussed in terms of hydrophilic-hydrophilic and hydrophilic-hydrophobic interactions in these systems along with the structure breaking/making ability of the drug.

Journal of Chemical Thermodynamics published new progress about Acoustic impedance. 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

Puca, Annibale Alessandro; Lopardo, Valentina; Montella, Francesco; Di Pietro, Paola; Cesselli, Daniela; Rolle, Irene Giulia; Bulfoni, Michela; Di Sarno, Veronica; Iaconetta, Giorgio; Campiglia, Pietro; Vecchione, Carmine; Beltrami, Antonio Paolo; Ciaglia, Elena published the artcile< The Longevity-Associated Variant of BPIFB4 Reduces Senescence in Glioma Cells and in Patients' Lymphocytes Favoring Chemotherapy Efficacy>, Application In Synthesis of 112-63-0, the main research area is PBMCs; chemotherapy; glioma; longevity; senescence.

Glioblastoma (GBM) is the most common primary brain cancer with the median age at diagnosis around 64 years, thus pointing to aging as an important risk factor. Indeed, aging, by increasing the senescence burden, is configured as a neg. prognostic factor for GBM stage. Furthermore, several anti-GBM therapies exist, such as temozolomide (TMZ) and etoposide (ETP), that unfortunately trigger senescence and the secretion of proinflammatory senescence-associated secretory phenotype (SASP) factors that are responsible for the improper burst of (i) tumorigenesis, (ii) cancer metastasis, (iii) immunosuppression, and (iv) tissue dysfunction. Thus, adjuvant therapies that limit senescence are urgently needed. The longevity-associated variant (LAV) of the bactericidal/permeability-increasing fold-containing family B member 4 (BPIFB4) gene previously demonstrated a modulatory activity in restoring age-related immune dysfunction and in balancing the low-grade inflammatory status of elderly people. Based on the above findings, we tested LAV-BPIFB4 senotherapeutic effects on senescent glioblastoma U87-MG cells and on T cells from GBM patients. We interrogated SA-β-gal and HLA-E senescence markers, SASP factors, and proliferation and apoptosis assays. The results highlighted a LAV-BPIFB4 remodeling of the senescent phenotype of GBM cells, enhancement of their sensitivity to temozolomide and a selective reduction of the T cells’ senescence from GBM patients. Overall, these findings candidate LAV-BPIFB4 as an adjuvant therapy for GBM.

Cells published new progress about 112-63-0. 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

Chien, Chia-Hung; Yang, Wen-Bin; Chuang, Jian-Ying; Lee, Jung-Shun; Liao, Wei-An; Huang, Chih-Yuan; Chen, Pin-Yuan; Wu, An-Chih; Yang, Shun-Tai; Lai, Chien-Cheng; Chi, Pei-I.; Chu, Jui-Mei; Cheng, Siao Muk; Liu, Chan-Chuan; Hwang, Daw-Yang; Chen, Shang-Hung; Chang, Kwang-Yu published the artcile< SH3GLB1-related autophagy mediates mitochondrial metabolism to acquire resistance against temozolomide in glioblastoma>, Related Products of 112-63-0, the main research area is temozolomide SH3GLB1 autophagy mitochondrial metabolism glioblastoma; Autophagy; Mitochondrial functions; Resistance; SH3GLB1; Temozolomide.

The mechanism by which glioblastoma evades temozolomide (TMZ)-induced cytotoxicity is largely unknown. We hypothesized that mitochondria plays a role in this process. RNA transcriptomes were obtained from tumor samples and online databases. Expression of different proteins was manipulated using RNA interference or gene amplification. Autophagic activity and mitochondrial metabolism was assessed in vitro using the resp. cellular and mol. assays. In vivo anal. were also carried out in this study. High SH3GLB1 gene expression was found to be associated with higher disease grading and worse survival profiles. Single-cell transcriptome anal. of clin. samples suggested that SH3GLB1 and the altered gene levels of oxidative phosphorylation (OXPHOS) were related to subsets expressing a tumor-initiating cell signature. The SH3GLB1 protein was regulated by promoter binding with Sp1, a factor associated with TMZ resistance. Downregulation of SH3GLB1 resulted in retention of TMZ susceptibility, upregulated p62, and reduced LC3B-II. Autophagy inhibition by SH3GLB1 deficiency and chloroquine resulted in attenuated OXPHOS expression. Inhibition of SH3GLB1 in resistant cells resulted in alleviation of TMZ-enhanced mitochondrial metabolic function, such as mitochondrial membrane potential, mitochondrial respiration, and ATP production SH3GLB1 modulation could determine tumor susceptibility to TMZ. Finally, in animal models, resistant tumor cells with SH3GLB1 knockdown became resensitized to the anti-tumor effect of TMZ, including the suppression of TMZ-induced autophagy and OXPHOS. SH3GLB1 promotes TMZ resistance via autophagy to alter mitochondrial function. Characterizing SH3GLB1 in glioblastoma may help develop new therapeutic strategies against this disease in the future.

Journal of Experimental & Clinical Cancer Research published new progress about ADP/ATP translocase ANT2 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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