Category: 112-63-0

Zificsak, Craig A.; Gingrich, Diane E.; Breslin, Henry J.; Dunn, Derek D.; Milkiewicz, Karen L.; Theroff, Jay P.; Thieu, Tho V.; Underiner, Ted L.; Weinberg, Linda R.; Aimone, Lisa D.; Albom, Mark S.; Mason, Jennifer L.; Saville, Lisa; Husten, Jean; Angeles, Thelma S.; Finn, James P.; Jan, Mahfuza; O’Kane, Teresa M.; Dobrzanski, Pawel; Dorsey, Bruce D. published the artcile< Optimization of a novel kinase inhibitor scaffold for the dual inhibition of JAK2 and FAK kinases>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is anilino pyrrolo triazine dual inhibitor JAK2 FAK kinase cancer.

The elaboration of a novel scaffold for the inhibition of JAK2 and FAK kinases was targeted in order to provide a dual inhibitor that could target divergent pathways for tumor cell progression.

Bioorganic & Medicinal Chemistry Letters published new progress about Activin receptor ALK4 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Zhang, Ming-yue; Wang, Xue-ying; Zhang, Xiao-hui; Hou, Rong published the artcile< Urine metabolomics reveals the effects of confined environment on mating choice in adult male giant pandas>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is adult giant panda urine metabolomics mating environment; Adult captive male giant pandas; Mate choice; Stress; Urine Metabolomics.

Mate choice was an important factor affecting the success rate of natural mating of captive giant pandas. The influencing factors and mechanisms of the mate preference of captive giant pandas were still unclear, and it was speculated that they might be related to the psychol. stress caused by the long-term confined environment restricting their free choice of physiol. needs. In order to test this hypothesis, this work explored the urinary metabolites of 6 adult captive male giant pandas during breeding period. Differences in metabolite levels in giant panda urine samples were analyzed via Ultra High Performance LC-MS (UHPLC/-MS) comparing preservation to loss of natural reproductive capacity and success to failure of mating choice, trying to understand the psychol. feelings of captive giant pandas in the process of mate choice from the perspective of all metabolites and related biochem. pathways, and fully revealed the mechanism of decline of their natural reproductive ability. The anal. results indicated that the loss of natural mating behavior of adult captive male giant pandas might be related to the disorder of tryptophan metabolism pathway and inhibition of arginine synthesis; the reason for the failure of mating choice caused by decreased libido might be related to the temporary decrease of androgen contents caused by the down-regulated of TCA cycle function and galactose metabolic pathway. These findings not only provide that adult male giant pandas in captivity do have psychol. frustration caused by the inability to freely choose their favorite mate or failure of mating preference, but also showed that the changes in stress-related metabolic pathways caused by psychol. frustration were an important reason for the decline of natural mating behavior of adult captive male giant pandas.

Physiology & Behavior published new progress about Adult, mammalian. 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

Nishiguchi, Gisele A.; Rico, Alice; Tanner, Huw; Aversa, Robert J.; Taft, Benjamin R.; Subramanian, Sharadha; Setti, Lina; Burger, Matthew T.; Wan, Lifeng; Tamez, Victoriano; Smith, Aaron; Lou, Yan; Barsanti, Paul A.; Appleton, Brent A.; Mamo, Mulugeta; Tandeske, Laura; Dix, Ina; Tellew, John E.; Huang, Shenlin; Mathews Griner, Lesley A.; Cooke, Vesselina G.; Van Abbema, Anne; Merritt, Hanne; Ma, Sylvia; Gampa, Kalyani; Feng, Fei; Yuan, Jing; Wang, Yingyun; Haling, Jacob R.; Vaziri, Sepideh; Hekmat-Nejad, Mohammad; Jansen, Johanna M.; Polyakov, Valery; Zang, Richard; Sethuraman, Vijay; Amiri, Payman; Singh, Mallika; Lees, Emma; Shao, Wenlin; Stuart, Darrin D.; Dillon, Michael P.; Ramurthy, Savithri published the artcile< Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is preparation RAF709 RAF inhibitor RAS mutant cancer.

RAS oncogenes have been implicated in >30% of human cancers, all representing high unmet medical need. The exquisite dependency on CRAF kinase in KRAS mutant tumors has been established in genetically engineered mouse models and human tumor cells. To date, many small mol. approaches are under investigation to target CRAF, yet kinase-selective and cellular potent inhibitors remain challenging to identify. Herein, we describe 14 (RAF709) [Aversa, Biaryl amide compounds as kinase inhibitors and their preparation WO 2014151616, 2014], a selective B/C RAF inhibitor, which was developed through a hypothesis-driven approach focusing on drug-like properties. A key challenge encountered in the medicinal chem. campaign was maintaining a balance between good solubility and potent cellular activity (suppression of pMEK and proliferation) in KRAS mutant tumor cell lines. We investigated the small mol. crystal structure of lead mol. 7 and hypothesized that disruption of the crystal packing would improve solubility, which led to a change from N-methylpyridone to a tetrahydropyranyl oxy-pyridine derivative 14 proved to be soluble, kinase selective, and efficacious in a KRAS mutant xenograft model.

Journal of Medicinal Chemistry published new progress about Animal gene, raf 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

Pudnika, Linda; Domraceva, Ilona; Werner, Thomas; Zalubovskis, Raivis; Grandane, Aiga published the artcile< Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones>, Electric Literature of 112-63-0, the main research area is bromo formylphenyl methylfumarate preparation phosphine catalyst Wittig reaction; bromobenzoxepinone carboxylate preparation phenylboronic acid Suzuki coupling reaction; tributyl phenylstannane bromobenzoxepinone carboxylate Stille coupling reaction; phenylbenzoxepinone carboxylate preparation antitumor SAR.

A short and efficient synthetic route towards benzoxepine containing scaffold, which enables late stage modification was developed. Namely, base-free catalytic Wittig reactions enabled the synthesis of bromobenzoxepinones from readily available starting materials. Subsequent, Suzuki-Miyaura and Stille reactions proved to be suitable methods to access a variety of benzoxepinone diaryl derivatives by late stage modification in only three steps. This three-step reaction sequence was suitable for high throughput applications and gives facile access to highly complex mol. structures, which are suitable for further functionalization. The antiproliferative properties of selected arylbenzoxepinones were tested in-vitro on monolayer tumor cell line A549. Notably, in this initial screening, these compounds were found to be active in the micromolar range.

Synthesis 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

Huberman, Tamir; Eisenberg-Domovich, Yael; Gitlin, Gerry; Kulik, Tikva; Bayer, Edward A.; Wilchek, Meir; Livnah, Oded published the artcile< Chicken avidin exhibits pseudo-catalytic properties: biochemical, structural, and electrostatic consequences>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is avidin streptavidin substrate complex crystal structure conformation hydrogen bond.

Avidin and its bacterial analog streptavidin exhibit similarly high affinities toward the vitamin biotin. The extremely high affinity of these two proteins has been utilized as a powerful tool in many biotechnol. applications. Although avidin and streptavidin have similar tertiary and quaternary structures, they differ in many of their properties. Here we show that avidin enhances the alk. hydrolysis of biotinyl p-nitrophenyl ester, whereas streptavidin protects this reaction even under extreme alk. conditions (pH > 12). Unlike normal enzymic catalysis, the hydrolysis reaction proceeds as a single cycle with no turnover because of the extremely high affinity of the protein for one of the reaction products (i.e. free biotin). The three-dimensional crystal structures of avidin (2 Å) and streptavidin (2.4 Å) complexed with the amide analog, biotinyl p-nitroanilide, as a model for the p-nitrophenyl ester, revealed structural insights into the factors that enhance or protect the hydrolysis reaction. The data demonstrate that several mol. features of avidin are responsible for the enhanced hydrolysis of biotinyl p-nitrophenyl ester. These include the nature of a decisive flexible loop, the presence of an obtrusive arginine 114, and a newly formed critical interaction between lysine 111 and the nitro group of the substrate. The open conformation of the loop serves to expose the substrate to the solvent, and the arginine shifts the p-nitroanilide moiety toward the interacting lysine, which increases the electron withdrawing characteristics and consequent electrophilicity of the carbonyl group of the substrate. Streptavidin lacked such mol. properties, and analogous interactions with the substrate were consequently absent. The information derived from these structures may provide insight into the action of artificial protein catalysts and the evolution of catalytic sites in general.

Journal of Biological Chemistry published new progress about Avidins Role: BAC (Biological Activity or Effector, Except Adverse), BSU (Biological Study, Unclassified), CAT (Catalyst Use), PRP (Properties), BIOL (Biological Study), USES (Uses). 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

Ma, Ning; Chen, Xing-hua; Zhao, Yan; Kang, Xu; Pan, Shan; Yao, Wen-qing published the artcile< HIV-1 molecular transmission network among sexually transmitted populations in Liaoning Province, China>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is HIV1 sexually transmitted disease mol transmission network China.

In recent years, with the development of mol. epidemiol., mol. transmission networks based on evolutionary theory and sequence anal. have been widely used in research on human immunodeficiency virus (HIV)-1 transmission dynamics and precise intervention for high-risk populations. The HIV-1 mol. transmission network is a new method to study the populations access to the network, the characteristics of clustering, and the characteristics of interconnection in the network. Here, we analyzed the characteristics of the HIV-1 mol. transmission network of sexually transmitted people in Liaoning Province. A study of HIV-infected persons who were sexually transmitted in Liaoning Province from 2003 to 2019. HIV-1 RNA was extracted, amplified and sequenced, and a phylogenetic tree was constructed to determine the subtype using the well matched pol gene region sequence. The gene distance between sequences was calculated, the threshold was determined, and the mol. transmission network was constructed. 109 samples of pol gene region were obtained. The main subtype of HIV-1 was CRF01_AE, followed by B, CRF07_BC, etc. 12.8% of them were resistant to HIV. At the threshold of 0.55 gene distance, 60.6% of them entered the HIV-1 mol. transmission network. Workers, sample source voluntary counseling and testing, other testing, subtype B and drug resistance are the factors influencing the access to HIV-1 mol. transmission network. The subtype of CRF01_AE formed 6 clusters in the mol. transmission network. In the network, the difference of connection degree between different subtypes was statistically significant. The three subtypes CRF01_AE, CRF07_BC and B that enter the mol. transmission network do not have interconnections, and they form clusters with each other. It shows that the risk of transmission among the three subtypes is less than the risk of transmission within each subtype. The factors affecting HIV-1 entry into the mol. transmission network were occupation, sample source, genotype and drug resistance. The L33F mutation at the HIV-1 resistance mutation site constitutes the interconnection in the largest transmission cluster in the network. The epidemiol. characteristics of HIV-infected persons in each mol. transmission cluster show that 97% of the study subjects come from the same area and have a certain spatial aggregation. Constructing a mol. transmission network and conducting long-term monitoring, while taking targeted measures to block the spread of HIV can achieve precise prevention and control.

Medicine (Philadelphia, PA, United States) published new progress about Animal gene Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (pol). 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

Miki, Yasuyoshi; Umemoto, Misako; Nakamura, Mai; Hibino, Hajime; Ohkita, Noriko; Kato, Akiko; Aoki, Yoshiyuki published the artcile< Bromination of dimethyl 1-substituted indole-2,3-dicarboxylates>, Category: esters-buliding-blocks, the main research area is indoledicarboxylate bromination; bromoindoledicarboxylate preparation.

Treatment of di-Me indole-2,3-dicarboxylate with pyridinium hydrobromide perbromide or bromine in the presence of Lewis acid gave di-Me 5-bromoindole-2,3-dicarboxylate as the sole product. In a similar manner, 1-benzyl- and 1-(benzenesulfonyl)indole-2,3-dicarboxylates provided a mixture of the corresponding 5- and 6-bromo derivatives However, 1-(trifluoromethanesulfonyl)indole-2,3-dicarboxylate gave 6-bromo-1-(trifluoromethanesulfonyl)indole-2,3-dicarboxylate as a major product.

Heterocycles published new progress about Bromination. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lee, Wonbae; Lee, Yong-Ill; Lee, Jeonghoon; Davis, Lloyd M.; Deininger, Prescott; Soper, Steven A. published the artcile< Cross-talk-free dual-color fluorescence cross-correlation spectroscopy for the study of enzyme activity>, Application of C19H34O2, the main research area is enzyme cross talk free fluorescence cross correlation spectroscopy FCCS.

We have developed an instrument for spectral cross-talk-free dual-color fluorescence cross-correlation spectroscopy (FCCS), which provides a readout modality for the study of enzyme activity in application areas such as high-throughput screening. Two spectrally distinct (∼250 nm) fluorophores, Cy3 and IRD800, were excited simultaneously using two different excitation sources: one poised at 532 nm and the other at 780 nm. The fluorescence information was processed on two different color channels monitored with single-photon avalanche diodes (SPADs) that could transduce events at the single-mol. level. The system provided no color cross-talk (cross-excitation and/or cross-emission) and/or fluorescence resonance energy transfer (FRET), significantly improving data quality. To provide evidence of cross-talk-free operation, the system was evaluated using bright microspheres (λabs = 532 nm, λem = 560 nm) and quantum dots (λabs = 532 nm, λem = 810 nm). Exptl. results indicated that no color leakage from the microspheres or quantum dots into inappropriate color channels was observed To demonstrate the utility of the system, the enzymic activity of APE1, which is responsible for nicking the phosphodiester backbone in DNA on the 5′ side of an apurinic/apyrimidinic site, was monitored by FCCS using a double-stranded DNA substrate dual labeled with Cy3 and IRD800. Activity of APE1 was also monitored in the presence of an inhibitor (7-nitroindole-2-carboxylic acid) of the enzyme using this cross-talk-free FCCS platform. In all cases, no spectral leakage from single-mol. events into inappropriate color channels was observed

Analytical Chemistry (Washington, DC, United States) published new progress about Avalanche photodiodes (SPAD, single-photon). 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

Zhang, Jiaying; Zheng, Hui; Geng, Haibo; Li, Ying; Guan, Yapeng; Sun, Yuanbin; Zhu, Cunjian published the artcile< Effect of nano MMT and mesoporous MCM-41 on corrosion resistance of poly(propylene carbonate) - based waterborne polyurethane>, Synthetic Route of 112-63-0, the main research area is polypropylene carbonate mesoporous zeolite waterborne polyurethane.

Environmental friendly poly(propylene carbonate)-based waterborne polyurethane (PPC-based WPU) is prepared with PPC and isophorone diisocyanate (IPDI) as the soft segment and the hard segment, resp. In this reaction system, 2,2-dimethylolbutyric acid (DMBA) is used as the hydrophilic donor and trimethylolpropane (TMP) as the crosslinking agent. The effect of co-doping of layered montmorillonite (MMT) and mesoporous material MCM-41 on corrosion resistance of PPC-based WPU resin was studied. The properties of the samples were characterized with nitrogen phys. adsorption, XRD, FT-IR, TG-DTA, DSC and water absorption testing. Potentiodynamic polarization curves, electrochem. impedance spectroscopy (EIS) and salt spray test were employed to investigate the corrosion performance of all the coatings. The results of XRD indicate that the MMT in the composite polyurethane resin is peeled off and MCM-41 maintains the hexagonal framework structure after grinding. Compared with the WPU coatings with MMT or MCM-41 single incorporation, those with MMT and MCM-41 co-incorporation show the best corrosion resistance, which is due to the different interface structure between filler and resin matrix.

Korean Journal of Chemical Engineering published new progress about Adsorption. 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

Fatimawali; Kalalo, Marko Jeremia; Simanjuntak, Siboantua Broolin; Hebber, Tri Andira; Kepel, Billy Johnson; Tallei, Trina Ekawati published the artcile< Immunomodulatory potential of bioactive compounds of betel leaf extract targeting COVID-19 immunological human host proteins: an in silico study>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is betel leaf immunomodulator.

Forests contain nearly all of the natural resources required by humans. Apart from food, the community makes use of forest products for medicinal purposes. Betel (Piper betle) is 1 of the numerous forest plants that thrive in the forests of North Sulawesi. The leaves and fruits are used by indigenous people as anti-inflammatory medications, deodorizing body odors, and for maintaining health. Natural medicine has recently been included in clin. trials as immunomodulators in COVID-19 patients. This study aimed to identify novel immunomodulatory compounds derived from betel leaf for the treatment of COVID-19 symptoms, particularly proinflammatory cytokines (tumor necrosis factor-α, interleukin-1β, interleukin-6, and nuclear factor kappa B). These cytokines are critical in modulating immune responses. Bioactive compounds from betel leaves were extracted and identified using gas chromatog.-mass spectrometry. These compounds were used as ligands for PyRx-based mol. docking. The admetSAR and SwissADME were used to predict ADMET (absorption, distribution, metabolism, excretion, and toxicity) and Lipinski′s rule of 5 parameters of the studied compounds This study discovered that 17 compounds exhibited higher binding energy than the control immunomodulatory agents (β-glucan and thiopurine). Only 1 of the compounds violated Lipinski′s rule of 5. ADMET predictions indicated that the compounds possess favorable and safe pharmacokinetic properties, making them suitable for development as drug candidates. The research findings suggest that bioactive compounds derived from betel leaf may prove beneficial in the treatment of COVID-19, particularly in the context of cytokine storms.

Journal of Applied Pharmaceutical Science published new progress about Anticoronaviral agents. 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