Month: November 2022

Li, Bo; Li, Yongliang; Tomkiewicz-Raulet, Celine; Dao, Pascal; Lietha, Daniel; Yen-Pon, Expedite; Du, Zhiyun; Coumoul, Xavier; Garbay, Christiane; Etheve-Quelquejeu, Melanie; Chen, Huixiong published the artcile< Design, Synthesis, and Biological Evaluation of Covalent Inhibitors of Focal Adhesion Kinase (FAK) against Human Malignant Glioblastoma>, Related Products of 112-63-0, the main research area is malignant glioblastoma FAK cell migration cell cycle autophosphorylation.

Human malignant glioblastoma (GBM) is a highly invasive and lethal brain tumor. Targeting of integrin downstream signaling mediators in GBM such as focal adhesion kinase (FAK) seems reasonable and recently demonstrated promising results in early clin. studies. Herein, we report the structure-guided development of a series of covalent inhibitors of FAK. These new compounds displayed highly potent inhibitory potency against FAK enzymic activity with IC50 values in the nanomolar range. Several inhibitors retarded tumor cell growth as assessed by a cell viability assay in multiple human glioblastoma cell lines. They also significantly reduced the rate of U-87 cell migration and delayed the cell cycle progression by stopping cells in the G2/M phase. Furthermore, these inhibitors showed a potent decrease of autophosphorylation of FAK in glioblastoma cells and its downstream effectors Akt and Erk as well as nuclear factor-κB. These data demonstrated that these inhibitors may have the potential to offer a promising new targeted therapy for human glioblastomas.

Journal of Medicinal Chemistry published new progress about Cell cycle checkpoint (cell cycle arrest, at G2/M phase). 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

Kim, Seok-Chan; Choi, Kwan-Min; Cheong, Chan-Seong published the artcile< Synthesis of amlodipine using aza Diels-Alder reaction>, COA of Formula: C19H34O2, the main research area is amlodipine synthesis Diels Alder alkene butynoate regioselective.

Amlodipine I was prepared via aza Diels Alder reaction of alkene II with Me butynoate.

Bulletin of the Korean Chemical Society published new progress about Diels-Alder reaction. 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

Kwon, Hyeok-jin; Tang, Xiaowu; Shin, Seongjun; Hong, Jisu; Jeong, Wonkyo; Jo, Yohan; An, Tae Kyu; Lee, Jihoon; Kim, Se Hyun published the artcile< Facile Photo-cross-linking System for Polymeric Gate Dielectric Materials toward Solution-Processed Organic Field-Effect Transistors: Role of a Cross-linker in Various Polymer Types>, Computed Properties of 112-63-0, the main research area is optical crosslinking polymeric gate dielec polymer crosslinker OFET; cyclic olefin copolymer; gate dielectrics; organic field-effect transistors; photo-cross-linker; poly(vinylidene fluoride-co-hexafluoropropylene).

Energy-efficient solution-processed organic field-effect transistors (OFETs) are highly sought after in the low-cost printing industry as well as for the manufacture of flexible and other next-generation devices. The fabrication of such electronic devices requires high-functioning insulating materials that are chem. and mech. robust to avoid lowering insulating properties during the device fabrication process or utilization of devices. In this study, we report a facile, fluorinated, UV-assisted cross-linker series using a fluorophenyl azide (FPA), which reacts with the C-H groups of a conventional polymer. This demonstrates the application of the cross-linked films in OFET gate dielecs. The effects of the cross-linkable chem. structure of the FPA series on the crosslinking chem., photopatternability, and dielec. properties of the resulting films are investigated for low/high-k or amorphous/crystalline polymeric gate dielec. materials. The characteristics of insulating layers and behavior of OFETs containing these cross-linked gate dielecs. (for example, leakage c.d. (J), hysteresis, and charge trap d.) depend on the polymer type. Furthermore, an organic-based complementary inverter and various printable OFETs with excellent elec. characteristics are successfully fabricated. Thus, these reported cross-linkers that enable the solution process and patterning of well-developed conventional polymer dielec. materials are promising for the realization of a more sustainable next-generation industrial technol. for flexible and printable devices.

ACS Applied Materials & Interfaces published new progress about Crosslinking (optical). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

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

Eliel, Ernest L.; Pietrusiewicz, K. Michal published the artcile< Conformational analysis. Part XLI. Oxanes>, Category: esters-buliding-blocks, the main research area is conformation oxane; pyran tetrahydro conformation.

Conformational free energies for various substituents in 3-substituted oxanes (tetrahydropyrans) were determined by low-temperature 13C NMR spectroscopy and compared with corresponding values in 5-substituted 1,3-dioxanes and in cyclohexanes. Also determined was the value for MeO in 4-methoxyoxane and the value for CHO in cyclohexanecarboxaldehyde.

Polish Journal of Chemistry published new progress about Free energy. 18729-20-9 belongs to class esters-buliding-blocks, and the molecular formula is C7H12O3, Category: esters-buliding-blocks.

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

Jia, Wei; Zhuang, Pan; Wang, Qiao; Wan, Xuzhi; Mao, Lei; Chen, Xinyu; Miao, Hong; Chen, Dawei; Ren, Yiping; Zhang, Yu published the artcile< Urinary non-targeted toxicokinetics and metabolic fingerprinting of exposure to 3-monochloropropane-1,2-diol and glycidol from refined edible oils>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is refined edible oils metabolome toxicokinetics 3MCPD glycidol proline biomarkers; 3-Monochloropropane-1,2-diol; Glycidol; Metabolomics; Pathway analysis; Urinary biomarker.

The widespread presence of 3-monochloropropane-1,2-diol (3-MCPD) and glycidol in refined edible oils have raised food industrial and public health concerns, but their specific biomarkers of exposure and urinary metabolic pathways indicating nephrotoxicity remain largely unknown. Here, we unraveled the in vivo biotransformation of these two contaminants and revealed how they affect metabolic pathways in rats. Urine metabolomes in rats administered with glycidol or 3-MCPD were investigated using ultra-high performance liquid chromatog. combined with a quadrupole-orbitrap high-resolution mass spectrometry. Compared to the currently acknowledged metabolite which is only 2,3-dihydroxypropyl mercapturic acid, we identified 8 and 4 new specific exposure biomarkers of glycidol and 3-MCPD, resp., via mapping the glyceryl polymerization and glutathione and sulfur conjugation. The changes of metabolites in the surrounding metabolic network were investigated to further gain insight into their metabolic fates. Exposure to glycidol up-regulated citrate, isocitrate, ketoglutarate, malate, and pyruvate in the tricarboxylic acid cycle and glycolysis pathways, while 3-MCPD intake down-regulated these signal mols. in both pathways. Nonetheless, L-cysteine, proline, and arginine were significantly decreased by the effect of either glycidol or 3-MCPD. Our findings first map the urinary metabolomics of both contaminants from edible oils and advance the omics-level recognition for their observational health hazards.

Food Research International published new progress about Biomarkers. 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

Wen, Genfa; Su, Yingpeng; Zhang, Guoxiang; Lin, Qiqiao; Zhu, Yujin; Zhang, Qianqian; Fang, Xinqiang published the artcile< Stereodivergent Synthesis of Chromanones and Flavanones via Intramolecular Benzoin Reaction>, Category: esters-buliding-blocks, the main research area is aldehyde aryl ketoalkoxy racemic triazolium intramol benzoin reaction catalyst; chromanone stereoselective preparation; flavanone stereoselective preparation.

The strategy of stereodivergent reactions on racemic mixtures (stereodivergent RRM) was employed for the first time in intramol. benzoin reactions and led to the rapid access of chromanones/flavanones with two consecutive stereocenters. The easily separable stereoisomers of the products were obtained with moderate to excellent enantioselectivities in a single step. Catechol type additives proved crucial in achieving the desired diastereo- and enantioselectivities.

Organic Letters published new progress about Aryl aldehydes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (ketoalkoxy). 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

Kaku, Tomohiro; Tsujimoto, Saori; Matsunaga, Nobuyuki; Tanaka, Toshimasa; Hara, Takahito; Yamaoka, Masuo; Kusaka, Masami; Tasaka, Akihiro published the artcile< 17,20-Lyase inhibitors. Part 3: Design, synthesis, and structure-activity relationships of biphenylylmethylimidazole derivatives as novel 17,20-lyase inhibitors>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is prostate cancer lyase inhibitor biphenylylmethylimidazole preparation SAR.

A novel series of biphenylylmethylimidazole derivatives and related compounds were synthesized as inhibitors of 17,20-lyase, a key enzyme in the production of steroid hormones, and their biol. activities were evaluated. In an attempt to identify potent and selective inhibitors of 17,20-lyase over the related CYP3A4 enzyme, a homol. model for human 17,20-lyase was developed using the X-ray crystallog. structure of the mammalian CYP2C5 enzyme. With the aid of mol. modeling, optimization of the biphenyl moiety was performed to give an acetamide derivative, which was resolved by HPLC to give the active (-)-enantiomer. The obtained active enantiomer showed not only potent inhibition of both rat and human 17,20-lyase,with IC50 values of 14 and 26 nM, resp., but also excellent selectivity (>300-fold) for inhibition of 17,20-lyase over CYP3A4. Moreover, the active enantiomer significantly reduced both serum testosterone and DHEA concentrations in a monkey model after single oral administration. Asym. synthesis of the active enantiomer was also developed via a chiral intermediate using a diastereoselective Grignard reaction.

Bioorganic & Medicinal Chemistry published new progress about Diastereoselective synthesis. 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

McDonald, Ivar M.; Mate, Robert; Ng, Alicia; Park, Hyunsoo; Olson, Richard E. published the artcile< Novel tricyclic diamines 2. Synthesis of 1,7-diazaisoadamantane, 1,5-diazaisoadamantane and 1,6-diazahomobrendane>, Quality Control of 112-63-0, the main research area is azaisoadamantane synthesis azaindole; azahomobrendane synthesis azaindole; azaindole synthesis tandem Sonogashira coupling intramol cyclization.

Three novel tricyclic diamines (1,7-diazaisoadamantane, 1,5-diazaisoadamantane and 1,6-diazahomobrendane) were prepared (isoadamantane and homobrendane numbering systems are shown as I and II, resp.). A flexible synthetic strategy was employed which used flat, aromatic azaindoles as the starting materials. The requisite azaindoles were prepared by a tandem Sonogashira coupling/intramol. cyclization reaction. Ring saturation, appropriate functionalization and intramol. alkylation provided the three novel tricyclic diamines cores.

Tetrahedron Letters published new progress about Chromatographic chiral resolution (of diazaisoadamantane precursors). 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

Sheppard, George S.; Wang, Jieyi; Kawai, Megumi; Fidanze, Steve D.; BaMaung, Nwe Y.; Erickson, Scott A.; Barnes, David M.; Tedrow, Jason S.; Kolaczkowski, Lawrence; Vasudevan, Anil; Park, David C.; Wang, Gary T.; Sanders, William J.; Mantei, Robert A.; Palazzo, Fabio; Tucker-Garcia, Lora; Lou, Pingping; Zhang, Qian; Park, Chang H.; Kim, Ki H.; Petros, Andrew; Olejniczak, Edward; Nettesheim, David; Hajduk, Phillip; Henkin, Jack; Lesniewski, Richard; Davidsen, Steven K.; Bell, Randy L. published the artcile< Discovery and Optimization of Anthranilic Acid Sulfonamides as Inhibitors of Methionine Aminopeptidase-2: A Structural Basis for the Reduction of Albumin Binding>, COA of Formula: C19H34O2, the main research area is anthranilic acid sulfonamide derivative preparation methionine aminopeptidase inhibitor albumin.

Methionine aminopeptidase-2 (MetAP2) is a novel target for cancer therapy. As part of an effort to discover orally active reversible inhibitors of MetAP2, a series of anthranilic acid sulfonamides with micromolar affinities for human MetAP2 were identified using affinity selection by mass spectrometry (ASMS) screening. These micromolar hits were rapidly improved to nanomolar leads on the basis of insights from protein crystallog.; however, the compounds displayed extensive binding to human serum albumin and had limited activity in cellular assays. Modifications based on structural information on the binding of lead compounds to both MetAP2 and domain III of albumin allowed the identification of compounds with significant improvements in both parameters, which showed good cellular activity in both proliferation and methionine processing assays.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 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

Tran-Thi, T.-H.; Prayer, C.; Millie, Ph.; Uznanski, P.; Hynes, James T. published the artcile< Substituent and Solvent Effects on the Nature of the Transitions of Pyrenol and Pyranine. Identification of an Intermediate in the Excited-State Proton-Transfer Reaction>, Product Details of C19H34O2, the main research area is solvent effect electronic transition pyrenol pyranine intermediate proton transfer; substituent effect electronic transition pyrenol pyranine intermediate proton transfer.

A comparative study of pyrenol and its trisulfonated derivative, pyranine, is undertaken to provide new clues for the understanding of the excited-state proton-transfer reaction (ESPT) of hydroxyarenes (ArOH*). A particular goal is to elucidate the nature of a transient intermediate involved in a three step mechanism of ESPT, as recently revealed in a dynamical study of excited pyranine in water. The present focus is on the reactant side, before the proton transfer occurs, and particular attention is given to the anal. of the nature of the electronic transitions and to the solute-solvent interactions in the ground and excited states of the ArOHs. Using both quantum chem. calculations and solvatochromism analyses, both (a) the role of electron-withdrawing substituents and H-bond interaction with the solvent in stabilizing the two lowest excited states, 1Lb and 1La, and (b) their relevance to the inversion of these two states are studied. The results allow the identification of the intermediate species in the three step mechanism of the ESPT of excited pyranine in water as a 1La state acid form, with appreciable charge-transfer character, as distinct from the 1Lb acid form reached in absorption. The results, which differ from more standard pictures of ESPT, are discussed within the perspective of a three valence bond form model for the ESPT process.

Journal of Physical Chemistry A published new progress about AM1 (molecular orbital method). 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