Month: November 2022

Nilsson, Jonas W.; Kvarnstroem, Ingemar; Musil, Djordje; Nilsson, Ingemar; Samulesson, Bertil published the artcile< Synthesis and SAR of Thrombin Inhibitors Incorporating a Novel 4-Amino-Morpholinone Scaffold: Analysis of X-ray Crystal Structure of Enzyme Inhibitor Complex>, Quality Control of 617-55-0, the main research area is amino morpholinone scaffold preparation thrombin inhibition crystal; structure activity relationship amino morpholinone scaffold thrombin inhibitor.

A 4-amino-2-carboxymethyl-3-morpholinone structural motif derived from malic acid has been used to mimic D-Phe-Pro in the thrombin inhibiting tripeptide D-Phe-Pro-Arg. The arginine in D-Phe-Pro-Arg was replaced by the more rigid P1 truncated p-amidinobenzylamine (Pab). These new thrombin inhibitors were used to probe the inhibitor binding site of α-thrombin. The best candidate in this series of thrombin inhibitors exhibits an in vitro IC50 of 0.130 μM. Interestingly, the stereochem. of the 4-amino-2-carboxymethyl-3-morpholinone motif is reversed for the most active compounds compared to that of a previously reported 2-carboxymethyl-3-morpholinone series. The X-ray crystal structure of the lead inhibitor cocrystd. with α-thrombin is discussed.

Journal of Medicinal Chemistry published new progress about Crystal structure. 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Quality Control of 617-55-0.

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

McClendon, Eric; Omollo, Ann O.; Valente, Edward J.; Hamme, Ashton T. II published the artcile< Oxonium ion-mediated synthesis of 4-substituted spiro-isoxazolines>, Reference of 112-63-0, the main research area is spiro isoxazoline stereoselective preparation hydroxyalkylisoxazole cyclization oxonium intermediate.

The stereoselective synthesis of 4-bromo-spiro-isoxazolines was achieved in one step through the bromination of various isoxazoles that contain a pendant alc. or carboxylic acid functional group. Isoxazole bromination leads to a bromonium ion intermediate, which opens either by neighboring oxygen lone pair electrons or by intramol. nucleophilic attack. Single X-ray crystal data provide evidence that the two contiguous stereocenters of the spiro-isoxazoline are formed by the anti intramol. attack of the nucleophile relative to bromine, since there is an anti stereochem. relationship between the spirocyclic ring oxygen and the bromine atom.

Tetrahedron Letters published new progress about Cyclization. 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

Rehman, Najeeb Ur; Ansari, Mohd Nazam; Ahmad, Wasim; Amir, Mohd published the artcile< GC-MS Analysis and In Vivo and Ex Vivo Antidiarrheal and Antispasmodic Effects of the Methanolic Extract of Acacia nilotica>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Acacia nilotica antidiarrheal diarrhea hyperactive gut motility disorder; A. nilotica; Ca++ channel blocker; GC-MC; antispasmodic; phosphodiesterase inhibitor.

This present study evaluated and rationalized the medicinal use of the fruit part of Acacia nilotica methanolic extract The phytochems. were detected using gas chromatog.-mass spectrometry (GC-MS) while the in vivo antidiarrheal test was done using Swiss albino mice. To determine the details of the mechanism(s) involved in the antispasmodic effect, isolated rat ileum was chosen using different ex vivo assays by maintaining a physiol. environment. GC-MS results showed that A. nilotica contained pyrogallol as the major polyphenol present (64.04%) in addition to polysaccharides, polyphenol, amino acid, steroids, fatty acid esters, and triterpenoids. In the antidiarrheal experiment, A. nilotica inhibited diarrheal episodes in mice significantly (p < 0.05) by 40% protection of mice at 200 mg/kg, while 80% protection was observed at 400 mg/kg by the orally administered extract The highest antidiarrheal effect was observed with loperamide (p < 0.01), used as a control drug. In the ex vivo experiments, A. nilotica inhibited completely in increasing concentrations (0.3 to 10 mg/mL) the carbachol (CCh; 1μM) and high K+ (80 mM)-evoked spasms in ileum tissues at equal potencies (p > 0.05), similar to papaverine, a dual inhibitor of the phosphodiesterase enzyme (PDE) and Ca++ channels. The dual inhibitory-like effects of A. nilotica on PDE and Ca++ were further validated when A. nilotica extract (1 and 3 mg/mL)-pre-incubated ileum tissues potentiated and shifted isoprenaline relaxation curves towards lower doses (leftward), similar to papaverine, thus confirming the PDE inhibitory-like mechanism whereas its CCB-like effect of the extract was confirmed at 3 and 5 mg/mL by non-specific inhibition of CaCl2-mediated concentration response curves towards the right with suppression of the maximum peaks, similar to verapamil, used as standard CCB. Thus, this study characterized the chem. composition and provides mechanistic support for medicinal use of A. nilotica in diarrheal and hyperactive gut motility disorders.

Molecules published new progress about Acacia nilotica. 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

Liu, Kun; Jiang, Liping; Shi, Yulin; Liu, Baiyang; He, Yaomei; Shen, Qiushuo; Jiang, Xiulin; Nie, Zhi; Pu, Jun; Yang, Cuiping; Chen, Yongbin published the artcile< Hypoxia-induced GLT8D1 promotes glioma stem cell maintenance by inhibiting CD133 degradation through N-linked glycosylation>, Category: esters-buliding-blocks, the main research area is GLT8D1 CD133 degradation signaling stem cell hypoxia glioma progression.

Gliomas are the most aggressive primary brain tumors. However, no significant improvement in survival has been achieved with the addition of temozolomide (TMZ) or radiation as initial therapy, although many clin. efforts have been carried out to target various signaling pathways or putative driver mutations. Here, we report that glycosyltransferase 8 domain containing 1 (GLT8D1), induced by HIF-1α under a hypoxic niche, significantly correlates with a higher grade of glioma, and a worse clin. outcome. Depletion of GLT8D1 inhibits self-renewal of glioma stem cell (GSC) in vitro and represses tumor growth in glioma mouse models. GLT8D1 knockdown promotes cell cycle arrest at G2/M phase and cellular apoptosis with or without TMZ treatment. We reveal that GLT8D1 impedes CD133 degradation through the endosomal-lysosomal pathway by N-linked glycosylation and protein-protein interaction. Directly blocking the GLT8D1/CD133 complex formation by CD133N1∼108 (referred to as FECD133), or inhibiting GLT8D1 expression by lercanidipine, suppresses Wnt/β-catenin signaling dependent tumorigenesis both in vitro and in patient-derived xenografts mouse model. Collectively, these findings offer mechanistic insights into how hypoxia promotes GLT8D1/CD133/Wnt/β-catenin signaling during glioma progression, and identify GLT8D1 as a potential therapeutic target in the future.

Cell Death & Differentiation published new progress about Apoptosis. 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

Lasitha, P.; Dasgupta, S.; Naresh Patwari, G. published the artcile< Unraveling the Origin of Differentiable 'Turn-On' Fluorescence Sensing of Zn2+ and Cd2+ Ions with Squaramides>, Product Details of C19H34O2, the main research area is zinc cadmium sensing fluorescence squaramide; density functional calculations; excited state dynamics; ligand-to-metal charge transfer; squaramides; ‘turn-on’ fluorescence sensing.

A squaramide ring conjugated with Schiff-bases decorated with hydroxy and methoxy functional groups differentially senses zinc and cadmium ions, which turn on the fluorescence. The feebly emitting free ligands light up in the presence of zinc and cadmium acetates, with the acetate ion playing a pivotal role as a conjugate anion. The selective and differentiable emission responses for zinc and cadmium ions make these ligands efficient multi-analyte sensing agents. Furthermore, these ligands could be used to differentially sense zinc and cadmium ions even in aqueous environments. The NMR studies reveal marginal differences in the binding of zinc and cadmium ions to the ligands, whereas d. functional theory calculations suggest the different extent of ligand-to-metal charge transfer (LMCT) contributes to the differential behavior. Finally, comparison of the excited-state dynamics of free ligand and the metal complexes reveal the appearance of longer lifetime (∼500-700 ps) component with complexation, due to rigidified mol. skeleton, thereby impeding the non-radiative processes.

ChemPhysChem published new progress about Density functional theory. 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

Komudzinska, Marlena; Jozwiak, Malgorzata; Tyczynska, Magdalena; Burakowski, Andrzej; Glinski, Jacek published the artcile< The volume properties of selected glymes in N,N-dimethylformamide + water mixtures. The hydrophobic hydration process of glymes>, Category: esters-buliding-blocks, the main research area is glyme molar volume hydration.

This paper presents the d. of selected glymes (monoglyme, diglyme, triglyme and tetraglyme) in N,N-dimethylformamide + water mixtures at four temperatures: 293.15 K, 298.15 K, 303.15 K and 308.15 K. The d. data were used to calculate the apparent molar volumes (VΦ,m) and limiting apparent molar volumes (V0Φ,m = V0m), as well as the limiting molar expansion volume coefficient E0p,m. Changes in the obtained values of the physicochem. parameters, as functions of composition and temperature, were analyzed in terms of the mol. interactions and structural differentiation of the investigated systems. The process of hydrophobic hydration of the studied glymes is visible in the area of high water content in the mixture

Journal of Molecular Liquids published new progress about Density. 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

Huang, Ying; Zhang, Jeff; Yu, Zhengtian; Zhang, Hailong; Wang, Youzhen; Lingel, Andreas; Qi, Wei; Gu, Justin; Zhao, Kehao; Shultz, Michael D.; Wang, Long; Fu, Xingnian; Sun, Yongfeng; Zhang, Qiong; Jiang, Xiangqing; Zhang, Jiangwei; Zhang, Chunye; Li, Ling; Zeng, Jue; Feng, Lijian; Zhang, Chao; Liu, Yueqin; Zhang, Man; Zhang, Lijun; Zhao, Mengxi; Gao, Zhenting; Liu, Xianghui; Fang, Douglas; Guo, Haibing; Mi, Yuan; Gabriel, Tobias; Dillon, Michael P.; Atadja, Peter; Oyang, Counde published the artcile< Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy>, Category: esters-buliding-blocks, the main research area is EED226 preparation polycomb repressive complex PRC2 EED inhibitor bioavailability.

Overexpression and somatic heterozygous mutations of EZH2, the catalytic subunit Polycomb repressive complex 2 (PRC2), are associated with several tumor types. EZH2 inhibitor, EPZ-6438 (Tazemetostat), demonstrated clin. efficacy in patients with acceptable safety profile as monotherapy. EED, another subunit of PRC2 complex, is essential for its histone methyltransferase activity through direct binding to trimethylated lysine 27 on histone 3 (H3K27Me3). Herein the authors disclose the discovery of a first-in-class potent, selective and orally bioavailable EED inhibitor EED226 (compound 43). Guided by x-ray crystallog., compound 43 discovered by fragmentation and regrowth of Compound (I), a PRC2 HTS hit that directly binds EED. Scaffold hopping followed by ensuing multi-parameter optimization led to the discovery compound 43. Compound 43 induces robust and sustained tumor regression in EZH2MUT pre-clin. DLBCL model. For the first time specific and direct inhibition of EED can be effective as an anti-cancer strategy.

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, Category: esters-buliding-blocks.

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

Shono, Tatsuya; Nozoe, Tetsuo; Yamaguchi, Yoshihide; Ishifune, Manabu; Sakaguchi, Masashi; Masuda, Haruhisa; Kashimura, Shigenori published the artcile< Electroorganic chemistry. 133. A novel electroreductive alkylation of cycloheptatriene systems and its application to facile synthesis of β-thujaplicin>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is cycloheptatriene electroreductive alkylation; regioselective electroreductive alkylation cycloheptatriene; thujaplicin preparation electroreductive alkylation.

Electroreduction of cycloheptatriene or substituted cycloheptatrienes in the presence of an alkyl halide was found to be a unique and effective method for introducing regioselectively an alkyl group into seven-membered ring system and its was applied to a new synthesis of β-thujaplicin.

Tetrahedron Letters published new progress about Electrochemical reduction. 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

Ahmad, Ejaz; Kishore Pant, Kamal; Ali Haider, M. published the artcile< Synthesis and application of TiO2-supported phosphotungstic acid for ethyl levulinate production>, Product Details of C19H34O2, the main research area is ethyl levulinate synthesis titania supported phosphotungstic acid catalyst.

The present study investigates synthesis, characterization, and application of TiO2 supported Keggin phosphotungstic acid in biorenewable transformations. In particular, 10 wt%, 20 wt%, 30 wt% and 40 wt% Keggin phosphotungstic acid was loaded over TiO2 support via wet impregnation method to prepare EPTN-1, EPTN-2, EPTN-3, and EPTN-4 catalysts, resp. After this, synthesized catalysts were tested in a microwave reactor to measure reactivity trend in order HPW > EPTN-4 > EPTN-3 > EPTN-2 > EPTN-1. A maximum 95% levulinic acid (LA) conversion was measured in the presence of 72 mg EPTN-4 catalyst, two mmol LA in 1:42 LA: EtOH (ethanol) molar ratio at 393 K in 120 min at a stirring speed of 300 rpm. No significant loss in heterogenized EPTN-4 catalyst was measured after five application cycles. A detailed characterization of synthesized catalyst showed that the Keggin structure remained intact after heterogenization.

Materials Science for Energy Technologies published new progress about Particle size. 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

Qu, Junyan; Cao, Chao-Tun; Cao, Chenzhong published the artcile< Determining the excited-state substituent constants of furyl and thienyl groups>, Synthetic Route of 112-63-0, the main research area is furyl thienyl styrene derivative preparation excited state substituent constant; Schiff base furyl thienyl preparation excited state substituent constant.

Six series of styrene derivatives XCH=CHArY (total of 65) containing the styrene parent mol. skeleton were synthesized (here, Y is OMe, Me, H, F, Cl, CF3, CN, and NO2, and X is 2-furyl, 3-furyl, 2′-methyl-2-furyl, 2-thienyl, 3-thienyl, and 2′-methyl-2-thienyl). Their UV absorption spectra were measured in anhydrous ethanol, and their wavelength of absorption maximum λmax was recorded. For the wavenumber νmax (cm-1, νmax = 1/λmax) of the obtained λmax, a quant. correlation anal. was performed, and 6 excited-state substituent constants σCCpex of groups X were obtained by means of curve-fitting method. Taking the νmax values of total 90 compounds of styrene derivatives as a data set (including 25 compounds from reference and 65 compounds of this work), a quant. correlation anal. was performed, and the reliability of the obtained σCCpex was verified. In addition, 12 samples of disubstituted Schiff bases (XCH=NArY) involving the above groups X were synthesized, and their νmax values were recorded. Using these 12 νmax together with the 14 νmax values of Schiff bases taken from reference (total of 26 compounds), it was further verified that the σCCpex values are reliable by means of quant. correlation method.

Journal of Physical Organic Chemistry published new progress about Aralkyl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 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