Tag: M.W=250-300

Peng, Guowen; Xiao, Fangzhu; Nie, Changming; Liao, Lifu; Yang, Shengyuan published the artcile< Quantum topological method studies on QSRR for chiral organic compounds>, Synthetic Route of 112-63-0, the main research area is quantum topol QSRR chiral organic.

Based on topol. chem. theory, as well as the bonding at. structural features and the local chem. microenvironment, the authors introduced two new chiral topol. indexes w1, w2, with the space distance between atoms using d. functional theory (DFT) at the B3LYP/6-31+G(d) level instead of the traditional topog. distance in two-dimensional topog. distance matrix. The authors also colored all atoms in mol. graph with equilibrium electro-negativity based on distance matrix and branch vertex of atoms in a mol., and corrected the distance matrix by chiral factors. Quant. structure-retention relation (QSRR) was systematically made on relation between the retention indexes RM from a chiral thin-layer chromatogram for 18 chiral organic acids (8 hydroxyl acids and 10 amino acids) and the chiral topol. index w1, w2 by partial least square regression (PLS). The calculated results by the model indicate that the average relative deviations between calculated values and exptl. data of retention indexes RM of chiral compounds are among the exptl. deviations. To validate the estimation stability for internal samples and the predictive capability for external samples of resulting models, leave-one-out (LOO) cross validation (CV) and external validation were performed. And the models all have good stability and predictability.

Huaxue Xuebao published new progress about Amino acids Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), PROC (Process). 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

Matsumoto, Masakatsu; Ishida, Yasuko; Watanabe, Nobuko published the artcile< Selective halogenation of 4-oxo-4,5,6,7-tetrahydroindoles to 5-halo-4-oxo-4,5,6,7-tetrahydroindoles with copper(II) halides>, Application In Synthesis of 112-63-0, the main research area is acylindolone bromination chlorination selective; cupric bromide bromination acylindole; cupric chloride chlorination acylindole; dehydrohalogenation haloindolone; indolone acyl halogenation dehydrohalogenation; indolol acyl.

Halogenation of 4-oxo-4,5,6,7-tetrahydroindoles I (R = H, PhCH2, 4-MeC6H4SO2, PhSO2, MeSO2, Bz) with CuBr2 or CuCl2 gave selectively 5-halo-4-oxo-4,5,6,7-tetrahydroindoles II (R1 = Br, Cl), which were easily transformed to 4-hydroxyindoles III by Li2CO3 and LiBr or LiCl in DMF.

Heterocycles published new progress about Bromination. 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

Foreman, David J.; Horta, Javier E. published the artcile< Determination of the empirical formula of zinc bromide using microwave technology: a simple experiment for the undergraduate general chemistry laboratory>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is chem education zinc bromide gravimetry acetone microwave.

The mass and mole relationships associated with the stoichiometry of chem. reactions and the composition of chem. compounds are among the most fundamental concepts that every student in an introductory chem. course must thoroughly learn and understand. By reacting granular zinc metal with a substoichiometric amount of a solid ionic bromine equivalent under microwave heating, the empirical formula of zinc bromide can be determined

Chemical Educator published new progress about Chemical education. 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

Cohen, Julius Berend; Bennett, Hugh Garner published the artcile< Studies in chlorination. The chlorination of the isomeric chloronitrobenzenes>, Synthetic Route of 112-63-0, the main research area is .

The chlorination of m-dichlorobenzene and isomeric chloronitro-compounds was investigated. The results conformed with the rule on the relation between the position assumed by the third and fourth entrant chlorine atoms obtained by chlorinating o- and p-dichlorobenzenes, and the six isomeric dichlorotoluenes on one hand, and those occupied by the two entrant nitro-groups on the other, and again by the fourth chlorine and nitro-group in the case of the 1:2:4-trichlorobenzene and the six trichlorotoluenes. In some cases, small quantities of isomeric products were obtained. For the case of 1:2-dichloro-4-nitrobenzene, the principal and secondary products appeared to be in the reverse order from that required by the rule.

Journal of the Chemical Society, Transactions published new progress about Melting point. 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

Tryniszewski, Michal; Bujok, Robert; Ganczarczyk, Roman; Wrobel, Zbigniew published the artcile< Reductive Condensation of a Nitro Group with Carboxylic Acids Promoted by Phosphorus(III) Compounds: A Short Route to 5 H -Dibenzo[b,e][1,4]diazepin-11(10 H )-ones>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is dibenzodiazepinone regioselective preparation; nitroaryl amino aryl carboxylic acid condensation catalyst tributylphosphine.

Tributyl- or triphenylphosphine promoted a one-pot, three-step method for the synthesis of differently substituted dibenzodiazepinones such as I [R = H, n-Bu; R1 = H, 8-Cl, 7-OMe, etc.; R2 = 2-Me, 2-CN; Z = N, CH; Y = S, NCH, HCCH] from N-aryl-2-nitroanilines. Pyridine analogs I [R = H; R1 = 9-Cl; R2 = H; Z = CH; Y = NCH] and the corresponding thiazepinones could also be formed using this method. The process involved deoxygenation of the nitro group, then formation of an iminophosphorane intermediate and its intramol. condensation with a carboxyl group placed in the N-aryl group. The role of the carboxyl group in the formation of the iminophosphorane and the mode of cyclization were discussed.

Synthesis published new progress about Anilines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (nitro). 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

Sun, Miao; Wang, Yi-Zhou; Yang, Yong; Lv, Meng-Wen; Li, Shan-Shan; Teixeira da Silva, Jaime A.; Wang, Liang-Sheng; Yu, Xiao-Nan published the artcile< Analysis of Chemical Components in the Roots of Eight Intersubgeneric Hybrids of Paeonia>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Paeonia root phenol paeonol intersubgeneric hybrid mass spectrometry; Paeonia; intersubgeneric hybrid; medicinal ingredient; paeoniflorin; tannins.

Paeonia cultivars are famous ornamental plants, and some of them are also traditional Chinese medicinal resources. Intersubgeneric hybrids of Paeonia (IHPs) are formed by the hybridization of herbaceous peony (Paeonia lactiflora) and tree peony (Paeonia×suffruticosa or lutea hybrid tree peony). The phenotypic characteristics of IHPs are similar to those of herbaceous peony, and their root systems are large and vigorous. However, their medicinal value has not been reported yet. In this study, the roots of eight IHP samples were analyzed by high performance liquid chromatog. quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS/MS). A total of 18 compounds were identified, including phenols, paeonols, monoterpene glycosides, and tannins. The contents of monoterpene glycosides and tannins in IHPs were higher than herbaceous peony and tree peony, exceeding 44.76 mg/g DW and 11.50 mg/g DW, resp. Three IHPs, ‘Prairie Charm’, ‘Garden Treasure’, and ‘Yellow Emperor’, with more types and a higher content of medicinal compounds, were screened out by cluster anal. These IHPs have considerable potential for the development of medicinal resources.

Chemistry & Biodiversity published new progress about High-performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry. 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

Naidu, Mamta D.; Mason, James M.; Pica, Raymond V.; Fung, Hua; Pena, Louis A. published the artcile< Radiation resistance in glioma cells determined by DNA damage repair activity of Apel/Ref-1>, Application of C19H34O2, the main research area is X ray radiotherapy radioresistance Ape1 DNA damage repair glioma.

Since radiation therapy remains a primary treatment modality for gliomas, the radioresistance of glioma cells and targets to modify their radiation tolerance are of significant interest. Human apurinic endonuclease 1 (Ape1, Ref-1, APEX, HAP1, AP endo) is a multifunctional protein involved in base excision repair of DNA and a redox-dependent transcriptional co-activator. This study investigated whether there is a direct relationship between Ape1 and radioresistance in glioma cells, employing the human U87 and U251 cell lines. U87 is intrinsically more radioresistant than U251, which is partly attributable to more cycling U251 cells found in G2/M, the most radiosensitive cell stage, while more U87 cells are found in S and G1, the more radioresistant cell stages. But observed radioresistance is also related to Ape1 activity. U87 has higher levels of Ape1 than does U251, as assessed by Western blot and enzyme activity assays (∼1.5-2 fold higher in cycling cells, and ∼10 fold higher at G2/M). A direct relationship was seen in cells transfected with CMV-Ape1 constructs; there was a dose-dependent relationship between increasing Ape1 overexpression and increasing radioresistance. Conversely, knock down by siRNA or by pharmacol. down regulation of Ape1 resulted in decreased radioresistance. The inhibitors lucanthone and CRT004876 were employed, the former a thioxanthene previously under clin. evaluation as a radiosensitizer for brain tumors and the latter a more specific Ape1 inhibitor. These data suggest that Ape1 may be a useful target for modifying radiation tolerance.

Journal of Radiation Research published new progress about Apoptosis. 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

Balmaseda, Aitor; Rozes, Nicolas; Bordons, Albert; Reguant, Cristina published the artcile< Modulation of a defined community of Oenococcus oeni strains by Torulaspora delbrueckii and its impact on malolactic fermentation>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Torulaspora delbrueckii Oenococcus oeni malolactic fermentation winemaking.

Torulaspora delbrueckii is being used increasingly as a starter for alc. fermentation (AF) because of its chem. modulation of wine. Previous studies on this yeast in a natural must have shown a different Oenococcus oeni population by the end of MLF. In this study we aim to evaluate this aspect in a defined O. oeni strain consortium in a sterile grape must during winemaking. Before commencing AF with either S. cerevisiae or both T. delbrueckii and S. cerevisiae, the must was inoculated with a defined population of O. oeni strains. The use of T. delbrueckii determined the bacterial population at the end of MLF. Also, the inoculation of a selected strain after AF produced wines with different chem. composition to those fermented with the initial bacterial community. Different yeast inoculation strategies modulate the O. oeni population, and this has an impact on the chem. composition of the wines. Moreover, the inoculation of a small O. oeni population in must leads to a process similar to spontaneous MLF. Torulaspora delbrueckii can be used as a tool to modulate the O. oeni population and enhance the aromas related to MLF.

Australian Journal of Grape and Wine Research published new progress about Biomass. 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

Roh, Tae Hoon; Lee, Ji-Hyun; Kim, Seo Jin; Shim, Jin-Kyoung; Park, Junseong; Yoon, Seon-Jin; Teo, Wan-Yee; Kim, Se Hoon; Chang, Jong Hee; Kang, Seok-Gu published the artcile< A novel biguanide (IM1761065) inhibits bioenergetics of glioblastoma tumorspheres>, Application In Synthesis of 112-63-0, the main research area is biguanide anticancer bioenergetics tumorsphere glioblastoma; Biguanide; Bioenergetics; Glioblastoma; IM1761065; Tumorsphere.

Glioblastoma (GBM) is a rapidly growing tumor in the central nervous system with altered metabolism Depleting the bioenergetics of tumors with biguanides have been suggested as an effective therapeutic approach for treating GBMs. The purpose of this study was to determine the effects of IM1761065, a novel biguanide with improved pharmacokinetics, on GBM-tumorspheres (TSs). The biol. activities of IM1761065 on GBM-TSs, including their effects on viability, ATP levels, cell cycle, stemness, invasive properties, and transcriptomes were examined The in vivo efficacy of IM1761065 was tested in a mouse orthotopic xenograft model. IM1761065 decreased the viability and ATP levels of GBM-TSs in a dose-dependent manner, and reduced basal and spare respiratory capacity in patient-derived GBM-TS, as measured by the oxygen consumption rate. Sphere formation, expression of stemness-related proteins, and invasive capacity of GBM-TSs were also significantly suppressed by IM1761065. A gene-ontol. comparison of IM1761065-treated groups showed that the expression levels of stemness-related, epithelial mesenchymal transition-related, and mitochondrial complex I genes were also significantly downregulated by IM1761065. An orthotopic xenograft mouse model showed decreased bioluminescence in IM1761065-treated cell-injected mice at 5 wk. IM1761065-treated group showed longer survival than the control group (P = 0.0289, log-rank test). IM1761065 is a potent inhibitor of oxidative phosphorylation. The inhibitory effect of IM1761065 on the bioenergetics of GBM-TS suggests that this novel compound could be used as a new drug for the treatment of GBM.

Journal of Neuro-Oncology published new progress about Angiogenesis. 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

Verhoog, Stefan; Pfeifer, Lukas; Khotavivattana, Tanatorn; Calderwood, Samuel; Collier, Thomas Lee; Wheelhouse, Katherine; Tredwell, Matthew; Gouverneur, Veronique published the artcile< Silver-Mediated 18F-Labeling of Aryl-CF3 and Aryl-CHF2 with 18F-Fluoride>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is silver triflate mediated fluorine 18 labeling trifluoromethyl difluoromethyl arene.

We report the synthesis of [18F]arylCF3 and [18F]arylCHF2 derivatives from arylCF2Br and arylCHFCl precursors applying a silver-mediated halogen exchange with [18F]fluoride. In the absence of Ag(I)OTf, no reaction takes place at room temperature for both classes of substrates; this result demonstrates the beneficial role of silver(I) as a means to induce 18F-incorporation under very mild conditions.

Synlett published new progress about Radiochemistry. 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