Category: 112-63-0

Wang, Qin; Rao, Nian; Liu, Li; Le, Yi; Yan, Longjia published the artcile< Development of 5-trifluoromethylpyrimidine derivatives as dual inhibitors of EGFR and SRC for cancer therapy>, Electric Literature of 112-63-0, the main research area is trifluoromethylpyrimidine derivative EGFR inhibitor antitumor mol docking.

In this paper, we reported a new series of 5-trifluoromethylpyrimidine derivatives (I [R = 4-methoxyphenyl, 2-fluorophenyl, 3-fluorophenyl, etc.], II [R = Pr, iso-Pr, hexyl, etc.]) for cancer therapy. They were tested for antitumor activity in vitro on four human cancer cell lines including A549, K562, HepG2, MCF-7 and two kinase including wild type epidermal growth factor receptor tyrosine kinase (EGFRwt-TK) and c-Src. The results suggested that some of the compounds (I [ R = 4-methoxyphenyl, 2-fluorophenyl, 3-fluorophenyl, 3,4-difluorophenyl], II [R = hexyl, Et acetate, iso-Pr, cyclopentyl, cyclohexyl, tetrahydropyran] 6b, 6d, 6e, 6f, 6g, 6h) performed well activities. Especially 2-((2-((4-((2-(Cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl)amino)phenyl)amino)-5-(trifluoro- methyl)pyrimidin-4-yl)amino)-N-methylbenzamide (6g) showed high antitumor activities against four cancer cell lines with 1.08 μM, 2.06 μM, 1.24 μM and 2.57 μM, resp. Furthermore, compound 2-((2-((4-((2-(cyclohexylamino)-3,4-dioxocyclobut-1-en-1-yl)amino)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)-N-methylbenzamide inhibited EGFRwt and Src at the values of 0.75 μM and 0.15 μM.

Heterocycles published new progress about Antitumor agents. 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

Takagi, Toru; Itabashi, Yutaka; Tsuda, Takao published the artcile< High-performance liquid chromatographic separation of 2-hydroxy fatty acid enantiomers on a chiral slurry-packed capillary column>, Related Products of 112-63-0, the main research area is hydroxy fatty acid resolution HPLC; liquid chromatog resolution hydroxy fatty acid; nitrophenylurethane derivatization hydroxy fatty acid resolution.

Complete enantiomer separations of racemic 2-hydroxy fatty acids of C5-C16 as their 3,5-dinitrophenylurethane and Me ester derivatives were achieved by high-performance liquid chromatog. with a slurry-packed fused-silica capillary column (40 cm × 0.32 mm) inside diameter with a chiral phase, N-(S)-2-(4-chlorophenyl)isovaleroyl-p-phenylglycine ionically bonded to 5-μm silica gel. The anal. was optimized by using a ternary mobile phase, n-hexane-1,2-dichloroethane-ethanol, and UV detection at 226 nm.

Journal of Chromatographic Science published new progress about Chromatographic chiral resolution. 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

Sun, Lei; Hu, Hua-Ping; Chen, Xiao-Xiao; Xu, Guo-Yong; Liu, Jin-Song; Hu, Jiang-Miao; Wu, De-Ling; Xu, Feng-Qing published the artcile< Two new acetoisovanillone glycosides from the water-soluble fraction of Paeonia ostii>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Paeonia acetoisovanillone glycoside; Paeonia ostii T. Hong et J. X. Zhang; acetoisovanillone glycoside; water-soluble extraction.

The cortex root of Paeonia ostii, is used as a traditional Chinese medicine for treating female diseases. Phytochem. investigation of the water-soluble fraction of the plant led to the isolation of two new acetoisovanillone glycosides: acetoisovanillone-3-O-β-D-glucopyranoside (I) and 2-hydroxy-acetoisovanillone-3-O-β-D-glucopyranoside (II). Their structures were elucidated by extensive spectroscopic methods.

Natural Product Research published new progress about Bark (root). 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

Dumitrescu, Dan; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail published the artcile< New ""Pyrene Box"" Cages for Adaptive Guest Conformations>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Pyrene box cage adaptive guest conformation crystallog.

The possibility of controlling the compression extent and the coiling shape of the 1,12-diammoniumdodecane guest is shown by changing the dimensions of the internal space of the host guanidinium 1,3,5,8 pyrene-tetrasulfonate PTS4- crystalline capsules by using guanidinium (G+), amino-guanidinium (AG+), and diaminoguanidinium (A2G+) cations.

Organic Letters published new progress about Amines Role: PEP (Physical, Engineering or Chemical Process), RCT (Reactant), PROC (Process), RACT (Reactant or Reagent) (conjugate acids). 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

Sorribes, Ivan; Wienhoefer, Gerrit; Vicent, Cristian; Junge, Kathrin; Llusar, Rosa; Beller, Matthias published the artcile< Chemoselective Transfer Hydrogenation to Nitroarenes Mediated by Cubane-Type Mo3S4 Cluster Catalysts>, Electric Literature of 112-63-0, the main research area is molybdenum sulfur cluster catalyst transfer hydrogenation nitro arene heteroarene; aromatic amine preparation.

Cubane-type Mo3S4 cluster compounds catalyzed transfer hydrogenation to nitro arenes or nitro heteroarenes to give aromatic amines. E.g., in presence of formic acid and NEt3 as the reducing agent, [Mo3S4H3(dmpe)2]BPh4 catalyzed the transfer hydrogenation of 4-O2NC6H4NH2 to give 90% p-phenylenediamine.

Angewandte Chemie, International Edition published new progress about Aromatic amines Role: SPN (Synthetic Preparation), PREP (Preparation). 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

Wang, Wenchao; Li, Fashe; Wang, Hua published the artcile< Study of light wavelength on the oxidative stability of Jatropha biodiesel>, Quality Control of 112-63-0, the main research area is Jatropha biodiesel oxidative stability light wavelength.

The oxidative stability of Jatropha biodiesel after exposure to different wavelengths of visible light was studied and kinetic anal. of the oxidation process was carried out. The results showed that the induction period of Jatropha biodiesel was 5.12 h and visible light at different wavelengths affected the oxidation of biodiesel differently. Effect of oxidation was the strongest in the purple, where the induction period was reduced to 2.65 h. The red had the weakest effect on biodiesel oxidation, and the induction period was reduced to 4.61 h. Acid value detection, component anal. and UV characterization of biodiesel oxidized by visible light at different wavelengths. The results showed that with the decrease of light wavelength, the acid value of the biodiesel increased from 0.2577 mg KOH/g to 0.3438 mg KOH/g and the content of Me linoleate containing two carbon-carbon double bonds decreases. UV characterization results showed that the absorption peak absorbance of conjugated double bond of Jatropha biodiesel oxidized by purple light was 5.282, while the absorption peak absorbance of conjugated double bond of Jatropha biodiesel oxidized by red light was only 2.877, and purple light was helpful to stimulate the generation of conjugate double bond. The kinetic anal. results showed that the different wavelengths had different rates of biodiesel degradation Purple light has the fastest oxidation rate. The oxidation rate constant k1 was 0.06011, the reaction order was n = 1, and the min. activation energy of the oxidation reaction process was 19.79 kJ·mol-1.

Fuel published new progress about Activation energy. 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

Aziz, Nur Atiqah Mohamad; Hamid, Hamidah Abd; Yunus, Robiah; Abbas, Zulkifly; Omar, Rozita; Rashid, Umer; Syam, Azhari Muhammad published the artcile< Kinetics and thermodynamics of synthesis of palm oil-based trimethylolpropane triester using microwave irradiation>, Application In Synthesis of 112-63-0, the main research area is palm oil trimethylolpropane triester microwave irradiation.

Enhancement of reaction performance utilizing microwave irradiation has drawn so much interest due to its shorter reaction time and low catalyst loading. These advantages are particularly significant from kinetics and thermodn. perspectives. This study aimed to investigate the kinetics and thermodn. of microwave-assisted transesterification of palm oil-based Me ester into biolubricant. The transesterification reaction of palm oil Me ester (PME) and trimethylolpropane (TMP) was conducted at 110-130 °C for 90 min under vacuum condition. Sodium methoxide was employed as the catalyst at 0.6 wt% of reactants fixed at molar ratio of 4:1 (PME: TMP). The exptl. data were fitted with the second-order reversible reaction kinetics mechanisms. The data were solved via Runge-Kutta 4,5 order using MATLAB software. Anal. on the data revealed that the reaction rate constants at temperatures of 110-140 °C were in the range of 0.01-0.63 [(weight/weight)(min)]-1, with standard errors of 0.0026-0.0228 within 99.99% prediction interval. Microwave-assisted reaction obtained 17.0 kcal/mol of activation energy. This method reduced activation energy by 49% as compared to the conventional heating. Activation energy and time-periodic energy assessment showed that the reaction was endothermic. The reaction at 130 °C is the easiest to activate. The pos. Gibbs free energy (ΔG > 0) found using Eyring-Polanyi equation indicated that the transesterification was non-spontaneous and endergonic.

Journal of Saudi Chemical Society published new progress about Activation energy. 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

Robinson, Henry; Oatley, Steven A.; Rowedder, James E.; Slade, Pawel; Macdonald, Simon J. F.; Argent, Stephen P.; Hirst, Jonathan D.; McInally, Thomas; Moody, Christopher J. published the artcile< Late-Stage Functionalization by Chan-Lam Amination: Rapid Access to Potent and Selective Integrin Inhibitors>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is naphthyridinylpentanamide arylpropanoic acid boronate Chan Lam amination; aminophenylpropanoic tetrahydro naphthyridinylpentanamide preparation integrin inhibitor idiopathic pulmonary fibrosis; C−N coupling; integrin antagonists; late-stage functionalization; medicinal chemistry; β-amino acids.

A late-stage functionalization of the aromatic ring in amino acid derivatives was described. The key step was a copper-catalyzed diversification of a boronate ester I (X = 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl; R1 = Boc; R2 = t-Bu) by amination (Chan-Lam reaction) that can be carried out on a complex β-aryl-β-amino acid scaffold. This not only considerably extended the substrate scope of amination partners, but also delivered an array of potent and selective integrin inhibitors I (X = 1-pyrazolyl, 4-chloro-1-imidazolyl, 1-piperidinyl, 1,4-oxazepan-4-yl, etc.; R1 = R2 = H) as potential treatment agents of idiopathic pulmonary fibrosis (IPF). This versatile chem. strategy, which was amenable to high-throughput-array protocols, allows the installation of pharmaceutically valuable heteroaromatic fragments at a late stage by direct coupling to NH heterocycles, leading to compounds with drug-like attributed.

Chemistry – A European Journal published new progress about Amination. 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

Stroka, Joerg; von Holst, Christoph; Anklam, Elke; Reutter, Matthias published the artcile< Immunoaffinity column cleanup with liquid chromatography using post-column bromination for determination of aflatoxin B1 in cattle feed: Collaborative study>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is aflatoxin feed analysis immunoaffinity LC bromination interlaboratory calibration.

A collaborative study was conducted to evaluate the effectiveness of an immunoaffinity column cleanup liquid chromatog. (LC) method for determination of aflatoxin B1 in cattle feed at a possible future European regulatory limit (1 ng/g). The test portion was extracted with acetone-water (85 + 15), filtered, diluted with water, and applied to an immunoaffinity column. The column was washed with water to remove interfering compounds, and the purified aflatoxin B1 was eluted with methanol. Aflatoxin B1 was separated and determined by reversed-phase liquid chromatog. (RP-LC) and detected by fluorescence after post column derivatization (PCD) involving bromination. PCD was achieved with either pyridinium hydrobromide perbromide (PBPB), used by 14 laboratories, or an electrochem. cell and addition of bromide to the mobile phase, used by 7 laboratories Both derivatization techniques were not significantly different when compared by the t-test; the method was statistically evaluated for all laboratories together (bromination and PBPB). The cattle feed samples, both spiked and naturally contaminated with aflatoxin B1, were sent to 21 laboratories in 14 different countries (United States, Japan, and Europe). Test portions were spiked at levels of 1.2 and 3.6 ng/g for aflatoxin B1. Recoveries ranged from 74 to 157%. Based on results for spiked samples (blind pairs at 2 levels) as well as naturally contaminated samples (blind pairs at 3 levels), the relative standard deviation for repeatability (RSDr) ranged from 5.9 to 8.7%. The relative standard deviation for reproducibility (RSDR) ranged from 17.5 to 19.6%. The method showed acceptable within- and between-laboratory precision for this matrix, as evidenced by HORRAT values, at the target levels of determination for aflatoxin B1. No major differences in RSD were observed, showing that the composition of the feeds was not a factor for the samples tested and that the method was applicable for all materials used.

Journal of AOAC International published new progress about Calibration, interlaboratory. 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

Adachi, Shuji; Imaoka, Hanaho; Hasegawa, Yuri; Matsuno, Ryuichi published the artcile< Preparation of a water-in-oil-in-water (W/O/W) type microcapsules by a single-droplet-drying method and change in encapsulation efficiency of a hydrophilic substance during storage>, Quality Control of 112-63-0, the main research area is pyrenetetrasulfonate emulsion microcapsule stability.

Microcapsules of a water-in-oil-in-water (W/O/W) emulsion, which contained a hydrophilic substance, 1,3,6,8-pyrenetetrasulfonic acid tetrasodium salt (PTSA), in its inner aqueous phase, was prepared by hot-air-drying or freeze-drying the emulsion using a single-droplet-drying method. Pullulan, maltodextrin, or gum arabic was used as a wall material, and the oily phase was tricaprylin, oleic acid, olive oil, or a mixture of tricaprylin and olive oil. An encapsulation efficiency higher than 0.95 was reached except for the microcapsules prepared using gum arabic and oleic acid. The hot-air-dried microcapsules were generally more stable than the freeze-dried microcapsules at 37° and various relative humidities. The stability was higher for the microcapsules with tricaprylin as the oily phase than for the microcapsules with oleic acid. The higher stability of the microcapsules with tricaprylin would be ascribed to the lower partition coefficient of PTSA to the oily phase. There was a tendency for the stability to be higher at lower relative humidity for both the hot-air- and freeze-dried microcapsules. The volumetric fraction of olive oil in its mixture with tricaprylin did not significantly affect either the encapsulation efficiency or the stability of the hot-air-dried microcapsules.

Bioscience, Biotechnology, and Biochemistry published new progress about Air drying process. 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