Category: 112-63-0

Potikha, L. M. published the artcile< Condensed isoquinolines. 22. Synthesis and properties of 6,11-dihydro-13H-isoquino[3,2-b]quinazolin-13-ones>, Formula: C19H34O2, the main research area is haloanthranilic acid heterocyclization bromomethylphenylacetonitrile; isoquinolinium bromide halophenyl preparation heterocyclization; isoquinoquinazolinone derivative preparation rearrangement.

The reaction of 3-haloanthranilic acids with [o-(bromomethyl)phenyl]acetonitrile gave 2-(2-carboxy-6-halophenyl)-1,4-dihydro-3(2H)-isoquinolinium bromides. (2-Chlorophenyl)isoquinolinium bromides are readily converted to 4-R-6,11-dihydro-13H-isoquino[3,2-b]quinazolin-13-ones, e.g., I, by heating >145°, but (2,4-dibromophenyl)isoquinolinium bromide only on fusing with anthranilic acid. The effect of the nature and position of substituents in the quinazoline fragment of 7,12-dihydro-5H-isoquino[2,3-a]quinazolin-5-ones, e.g., II, on the rate of rearrangement to 6,11-dihydro-13H-isoquino[3,2-b]quinazol-13-ones has been studied. The oxidation and borohydride reduction of 6,11-dihydro-13H-isoquino[3,2-b]quinazol-13-ones has been studied.

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about Heterocyclization. 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

Lin, SiSi; Yuan, Feng; Hu, LuFeng; Lin, ChongLiang; Ren, Ye; Yuan, ZhengZhong published the artcile< Jiaotaiwan increased GABA level in brain and serum, improved sleep via increasing NREM sleep and REM sleep, and its component identification>, Quality Control of 112-63-0, the main research area is Jiaotaiwan GABA brain serum NREM REM sleep component identification; EEG; GABA; Hypnotic; Jiaotaiwan; Liquid chromatography; Traditional medicine Asia & Oceania.

Jiaotaiwan (JTW) is good at communicating the heart and kidney. That meets the main mechanism of insomnia in traditional Chinese medicine. But the mechanism of JTW in promoting sleep is not clear. To investigate the mechanism of JTW in promoting sleep and identify the main components. In this study, we detected the levels of GABA in serum and brain via LC-MS/MS anal. and investigated the hypnotic effect of JTW and its role in promoting sleep via Sleep monitoring and vigilance state anal. Further, the identification of the main components was carried out by using LC-MS/MS anal. JTW could increase the GABA levels in serum, FC and BS of SDM rats. JTW reduced the amount of wakefulness, increased the time of NREM sleep and REM sleep. A total of 25 compounds were identified. The current work provides valuable information on the hypnotic effects of JTW and its regulatory mechanisms in promoting sleep.

Journal of Ethnopharmacology published new progress about Blood serum. 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

Burnell, R. H.; Taylor, W. I. published the artcile< Ring expansion. I. Dienone-phenol rearrangement of spiro [5,5]undeca-1,4-dien-3-one>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is .

Spiro[5,5]undecan-3-one (I), prepared from cyclohexanone (II) and CH2:CHCN (III) was converted into the dienone (IV), which rearranged in Ac2O-H2SO4 with simultaneous ring expansion to give 2′-acetoxybenzocydoheptene (V). III (90 g.) added during 80 min. to 10 g. Triton B in 180 g. II at 30-5° and the crude product distilled yielded unchanged II, 21 g. b1 150-90°, which was largely 2-(2-cyanoethyl)cyclohexanone, and 61 g. 2,2-bis(2-cyanoethyl)cyclohexanone (VI), m. 63°; semicarbazone, m. 196° (from EtOH). Hydrolysis of 15 g. VI by refluxing with aqueous KOH gave 16 g. 2-oxo-1,1-cyclohexanonedipropionic acid (VII), m. 136°. VII (49 g.), 20 g. KOH, and 23 cc. 85% NH2NH2 refluxed 8 hrs. in 250 cc. (CH2OH)2, the condenser removed, and the mixture heated up to 200° and maintained at that temperature 3.5 hrs. gave 39 g. 1,1-cyclohexanedipropionic acid, esterified to 44 g. of the di-Et ester (VIII), b19, 207-8°. VIII (9.7 g.) added to a suspension of 0.77 g. Na in 30 cc. PhMe at 110-15°, and the solution cooled after 5 hrs. and added to 10% aqueous HOAc yielded 4 g. Et 3-oxospiro[5,5]undecane-2-carboxylate (IX), b20 160°, λmaximum 256 mμ (log ε 3.95). IX (1.5 g.) refluxed 12 hrs. in 50% aqueous EtOH containing 2 cc. HCl yielded 0.73 g. I, b14 135-40°; 2,4-dinitrophenylhydrazone, m. 121°. I (0.7 g.) in 3 cc. HOAc decolorized 1.36 g. Br in HOAc instantly; 1 cc. HBr added and the whole left overnight gave 1.3 g. cis-dibromo spiro ketone (X), m. 132° (from Et2O). X (1.3 g.) and 3 cc. collidine boiled gently 4 min., cooled, the collidine-HCl filtered off, the filtrate taken up in Et2O, washed with dilute HCl, dried, and the resulting product chromatographed gave 250 mg. IV, m. 82°, λmaximum 235 mμ (log ε 4.2); 2,4-dinitrophenylhydrazone, m. 163-4°, λmaximum 257 and 395 mμ (log ε 4.15 and 4.44 resp.). IV (0.15 g.) in Ac2O treated with 1 drop of H2SO4 in Ac2O, kept 7 hrs., 25 cc. H2O added, and the solution set aside 12 hrs. at 0° gave 90 mg. V, m. 61-2°. Mild hydrolysis of V yielded 2′-hydroxybenzocycloheptene, m. 72° (from light petroleum). X (130 mg.) in HOAc heated 10 min. with 80 mg. 2,4-(O2N)2C6H3NHNH2 in 3 cc. HOAc gave 65 mg. of the orange 4-bromospiro[5,5]undec-1-en-3-one 2,4-dinitrophenylhydrazone, m. 157°, λmaximum 256 and 375 mμ (log ε 4.1 and 4.4 resp.). Concentration of the HOAc mother-liquors and addition of H2O furnished 43 mg. I 2,4-dinitrophenylhydrazone.

Journal of the Chemical Society published new progress about Rearrangement. 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

Biswas, Chhanda; Chu, Niansheng; Burn, Thomas N.; Kreiger, Portia A.; Behrens, Edward M. published the artcile< Amelioration of Murine Macrophage Activation Syndrome by Monomethyl Fumarate in Both a Heme Oxygenase 1-Dependent and Heme Oxygenase 1-Independent Manner>, Product Details of C19H34O2, the main research area is macrophage activation syndrome monomethyl fumarate HO1.

Macrophage activation syndrome (MAS) is characterized by increased serum levels of ferritin and heme oxygenase 1 (HO-1), and yet no known function is ascribed to these mols. in MAS. Because HO-1 is antiinflammatory, we hypothesized that pharmacol. activation of HO-1 could ameliorate MAS disease activity. Di-Me fumarate (DMF), a treatment approved by the US Food and Drug Administration for multiple sclerosis, activates HO-1. Monomethyl fumarate (MMF) is the active metabolite of DMF. We therefore evaluated whether MMF could elicit HO-1-dependent therapeutic improvements in a murine model of MAS. We induced MAS by repeated activation of Toll-like receptor 9 (TLR-9) in wild-type and myeloid-specific HO-1-deficient mice. MMF was administered twice daily to test its efficacy. We assessed organ weights, serum cytokine levels, histol. features of the spleen and liver tissue, and complete blood cell counts to evaluate disease activity. Statistical testing was performed using Students t-test or by 2-way anal. of variance as appropriate. The presence of HO-1 was required for the majority of TLR-9-induced interleukin-10 (IL-10). IL-10 production in TLR-9-induced MAS was found to correlate with the myeloid-HO-1 gene dose in myeloid cells (P < 0.001). MMF treatment increased the levels of HO-1 in splenic macrophages by ∼2-fold (P < 0.01), increased serum levels of IL-10 in an HO-1-dependent manner in mice with TLR-9-induced MAS (P < 0.005), and improved multiple disease parameters in both an HO-1-dependent and HO-1-independent manner. TLR-9-induced production of IL-10 is regulated by HO-1 activity both in vitro and in vivo. Therapeutic enhancement of the HO-1/IL-10 axis in a murine model was able to significantly ameliorate MAS disease activity. These results suggest that HO-1 may be viable as a MAS therapeutic target, and treatment with DMF and MMF should be considered in future investigations of MAS therapy. Arthritis & Rheumatology published new progress about Anemia. 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

Dede, Fabiana; Piccolo, Oreste; Vigo, Daniele published the artcile< Dimethyl Fumarate: Heterogeneous Catalysis for the Development of an Innovative Flow Synthesis>, Synthetic Route of 112-63-0, the main research area is dimethyl fumarate catalysis development innovative synthesis.

The present work describes the development of an improved synthesis of the active pharmaceutical ingredient (API) di-Me fumarate. The use of continuous flow technol. and the newly developed methylation conditions solve some of the issues of previous com. production strategies, e.g., reaching complete conversion and avoiding the formation of toxic impurities. The optimization was carried out using the design of experiment approach and afforded a very efficient, sustainable process, suitable for the industrial application.

Organic Process Research & Development published new progress about Experimental design. 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

Rabjohn, Norman published the artcile< Chlorination of isophthaloyl and terephthaloyl chloride>, COA of Formula: C19H34O2, the main research area is .

m-C6H4(COCl)2 (144 g.) and 5 g. Fe, treated at 95-100° with Cl until there is no further increase in weight, give 137 g. 5-Cl derivative (I), b4 126-8°; 16 g. I and 100 cc. 10% NaOH, warmed 5 hrs. on a steam bath, give 11 g. 5,1,3-ClC6H3(CO2H)2. I (5 g.) and 50 cc. MeOH, heated 0.5 hr. on the steam bath, give 5,1,3-ClC6H3(CO2Me)2, m. 80-1°. I (10 g.) and 100 cc. NH4OH give 8 g. 5-chloroisophthalamide, m. 254-5°. p-C5H4(COCl)2 (215 g.) and 5 g. Fe at 175°, treated with Cl until there is no further increase in weight, give 223 g. 2,3,5,6-tetrachloroterephthaloyl chloride (II), m. 144-5°; 10 g. II and 300 cc. MeOH, refluxed 10 hrs., give 9.3 g. di-Me 2,3,5,6-tetrachloroterephthalate, m. 154-5°; the free acid m. about 330° (decomposition); the amide m. above 400°.

Journal of the American Chemical Society published new progress about Chlorination. 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

Wang, Kaizheng; Wang, Feipeng; Lou, Ziyi; Han, Qiuhuang; Zhao, Qi; Hu, Kelin; Huang, Zhengyong; Li, Jian published the artcile< Relationship between the electrical characteristics of molecules and fast streamers in ester insulation oil>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is triglyceride octane streamer ester insulation oil; electron affinity; ester insulation oil; ionization potential; lighting impulse breakdown; streamer.

The effects of C=C, ester and β-H groups on the ionization potential (IP) and electron affinity (EA) of mols. in natural ester insulation oil were investigated by d. functional theory (DFT). The major contribution to the HOMO (HOMO) comes from the carbon atoms adjacent to C=C. Thus, the IPs of triglycerides decrease as the number of C=C double bonds increases. The C=C in alkanes may also lower the IP. However, the β-H in triglycerides has little effect on the IP, and C=C and β-H have only a small effect on the EAs of the triglycerides because of the major contributions of atoms near the ester group in triglycerides to the LUMO (LUMO). This study calculated the IPs of 53 kinds of mols. in FR3, which are significantly lower compared with those of mols. in mineral oil (MO) and trimethylolpropane triester without C=C. However, the lightning impulse breakdown voltage (LI Vb) of trimethylolpropane triester is still significantly lower than that of MO at the large gap. Therefore, the transition from slow to fast streamers under low lighting impulse voltage is determined by the ester group rather than by C=C and β-H. The ester group may attract more electrons, impacting itself more compared to alkane in MO and facilitating the transition from slow to fast streamers.

International Journal of Molecular Sciences published new progress about Electric insulators. 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

Bonneville-Levard, Alice; Frappaz, Didier; Tredan, Olivier; Lavergne, Emilie; Corset, Veronique; Agrapart, Vincent; Chabaud, Sylvie; Pissaloux, Daniel; Wang, Qing; Attignon, Valery; Cartalat, Stephanie; Ducray, Francois; Thomas-Maisonneuve, Laure; Honnorat, Jerome; Meyronet, David; Taillandier, Luc; Blonski, Marie; Viari, Alain; Baudet, Christian; Sohier, Emilie; Lantuejoul, Sylvie; Paindavoine, Sandrine; Treilleux, Isabelle; Rodriguez, Christine; Perol, David; Blay, Jean-Yves published the artcile< Molecular profile to guide personalized medicine in adult patients with primary brain tumors: results from the ProfiLER trial>, Reference of 112-63-0, the main research area is brain tumor mol profile personalized medicine; Decision-making; Molecular profiling; Precision medicine; Primary brain tumor; Targeted therapy.

Abstract: Immunohistochem. and recent mol. technologies progressively guided access to personalized anti-tumoral therapies. We explored the feasibility, efficacy, and the impact of mol. profiling in patients with advanced brain tumors. This multicentric prospective trial ProfiLER enrolled patients with primary brain tumors, who have been pre-treated with at least one line of anti-cancer treatment, and for whom mol. profiles had been achieved using next-generation sequencing and/or comparative genomic hybridization on fresh or archived samples from tumor, relapse, or biopsies. A mol. tumor board weekly analyzed results and proposed mol.-based recommended therapy (MBRT). From Feb. 2013 to Dec. 2015, we enrolled 141 patients with primary brain tumor and analyzed 105 patients for whom tumor genomic profiles had been achieved. Histol. mainly identified glioblastoma (N = 46, 44%), low-grade glioma (N = 26, 25%), high-grade glioma (N = 12, 11%), and atypical and anaplastic meningioma (N = 8, 8%). Forty-three (41%) patients presented at least one actionable mol. alteration. Out of 61 alterations identified, the most frequent alterations occurred in CDKN2A (N = 18), EGFR (N = 12), PDGFRa (N = 8), PTEN (N = 8), CDK4 (N = 7), KIT (N = 6), PIK3CA (N = 5), and MDM2 (N = 3). Sixteen (15%) patients could not be proposed for a MBRT due to early death (N = 5), lack of available clin. trials (N = 9), or inappropriate results (N = 2). Only six (6%) of the 27 (26%) patients for whom a MBRT had been proposed finally initiated MBRT (everolimus (N = 3), erlotinib (N = 1), ruxolitinib (N = 1), and sorafenib (N = 1)), but discontinued treatment for toxicity (N = 4) or clin. progression (N = 2). High-throughput sequencing in patients with brain tumors may be routinely performed, especially when macroscopic surgery samples are available; nevertheless delays should be reduced. Criteria for clin. trial enrollment should be reconsidered in patients with brain tumors, and a panel of genes specifically dedicated to neurol. tumors should be developed to help decision-making in clin. practice.

Medical Oncology (New York, NY, United States) published new progress about Antitumor agents. 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

Li, Chengwei; Prichard, Mark N.; Korba, Brent E.; Drach, John C.; Zemlicka, Jiri published the artcile< Fluorinated methylenecyclopropane analogues of nucleosides. Synthesis and antiviral activity of (Z)- and (E)-9-{[(2-fluoromethyl-2-hydroxymethyl)-cyclopropylidene]methyl}adenine and -guanine. [Erratum to document cited in CA148:552730]>, Related Products of 112-63-0, the main research area is erratum fluorinated methylenecyclopropane analog nucleoside preparation antiviral; fluoromethyl hydroxymethyl cyclopropylidene adenine guanine preparation antiviral structure erratum.

There are multiple typog. errors throughout the article; the correct to these are given.

Bioorganic & Medicinal Chemistry published new progress about Antiviral agents. 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

Eeza, Muhamed N. H.; Bashirova, Narmin; Zuberi, Zain; Matysik, Joerg; Berry, John P.; Alia, A. published the artcile< An integrated systems-level model of ochratoxin A toxicity in the zebrafish (Danio rerio) embryo based on NMR metabolic profiling>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Danio embryo ochratoxin A hepatotoxicity NMR metabolic profiling.

Ochratoxin A (OTA) is one of the most widespread mycotoxin contaminants of agricultural crops. Despite being associated with a range of adverse health effects, a comprehensive systems-level mechanistic understanding of the toxicity of OTA remains elusive. In the present study, metabolic profiling by high-resolution magic angle spinning (HRMAS) NMR, coupled to intact zebrafish embryos, was employed to identify metabolic pathways in relation to a systems-level model of OTA toxicity. Embryotoxicity was observed at sub-micromolar exposure concentrations of OTA. Localization of OTA, based on intrinsic fluorescence, as well as a co-localization of increased reactive oxygen species production, was observed in the liver kidney, brain and intestine of embryos. Moreover, HRMAS NMR showed significant alteration of metabolites related to targeting of the liver (i.e., hepatotoxicity), and pathways associated with detoxification and oxidative stress, and mitochondrial energy metabolism Based on metabolic profiles, and complementary assays, an integrated model of OTA toxicity is, thus, proposed. Our model suggests that OTA hepatotoxicity compromises detoxification and antioxidant pathways, leading to mitochondrial membrane dysfunction manifested by crosstalk between pathways of energy metabolism Interestingly, our data addnl. aligns with a possible role of mitochondrial fusion as a “”passive mechanism”” to rescue mitochondrial integrity during OTA toxicity.

Scientific Reports published new progress about Brain. 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