Month: December 2022

Serafini, Marta published the artcileStore-Operated Calcium Entry as a Therapeutic Target in Acute Pancreatitis: Discovery and Development of Drug-Like SOCE Inhibitors, Product Details of C9H8O4, the publication is Journal of Medicinal Chemistry (2020), 63(23), 14761-14779, database is CAplus and MEDLINE.

Store-operated calcium entry (SOCE) is important in the maintenance of calcium homeostasis and alterations in this mechanism are responsible for several pathol. conditions, including acute pancreatitis. Since the discovery of SOCE, many inhibitors have been identified and extensively used as chem. probes to better elucidate the role played by this cellular mechanism. Nevertheless, only a few have demonstrated drug-like properties so far. Here, we report a class of biphenyl triazoles among which stands out a lead compound, 34, that is endowed with an inhibitory activity at nanomolar concentrations, suitable pharmacokinetic properties, and in vivo efficacy in a mouse model of acute pancreatitis.

Journal of Medicinal Chemistry published new progress about 1877-71-0. 1877-71-0 belongs to esters-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Ester, name is 3-(Methoxycarbonyl)benzoic acid, and the molecular formula is C18H14BrNO5S2, Product Details of C9H8O4.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Garcia-Rubino, M. E. published the artcileEnantiospecific Synthesis of Heterocycles Linked to Purines: Different Apoptosis Modulation of Enantiomers in Breast Cancer Cells, Safety of (R)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate, the publication is Current Medicinal Chemistry (2013), 20(38), 4924-4934, database is CAplus and MEDLINE.

The issue of chiral drug is now a major theme in the design, discovery and development of new drugs. It has been shown for many pharmaceuticals that only one enantiomer contains the desired activity, and the synthesis of such drug mols. in their optically pure form is becoming increasingly important. Mitsunobu reaction was carried out between (R)- and (S)-3,4-dihydro-2H-1,5-benzoxathiepin-3-ol and purines under microwave irradiation A contraction into a six-membered ring takes place with concomitant inversion at the stereocentre with excellent enantiomeric excesses giving rise to the homochiral 9-(2,3-dihydro-1,4-benzoxathiin-3-ylmethyl)-9H-purines. The anti-tumor activity of all enantiomers is reported against the caspase-3-deficient MCF-7 and the wild type SKBR-3 human breast cancer cells. The most active homochiral compound displays an IC₅₀ of 1.85 μM and induces inhibition of the translation initiation factor eIF2α. All homochiral compounds included in this study show different apoptotic effects between both enantiomers with levels up to 99%. We have analyzed caspase-mediated apoptotic pathways on enantiomers and racemates. We have found a homochiral derivative that activates the canonical intrinsic caspase-8/caspase-3 apoptotic pathway on the MCF-7 cells, and a racemic compound that induces caspase-2 activation. Moreover, we demonstrate the involvement of caspase activation during cell death induced by these compounds in SKBR-3 cells.

Current Medicinal Chemistry published new progress about 115314-17-5. 115314-17-5 belongs to esters-buliding-blocks, auxiliary class Epoxides,Chiral,Nitro Compound,Sulfonate,Benzene, name is (R)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate, and the molecular formula is C9H9NO6S, Safety of (R)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Griffith, W. L. published the artcileNovel neutral solvents fermentations, Related Products of esters-buliding-blocks, the publication is Developments in Industrial Microbiology Series (1983), 347-52, database is CAplus.

Earlier fermentations producing neutral solvents generally have been single-stage batch fermentations with distillation for product recovery. One step in this group of fermentations, the production of BuOH [71-36-3], provides the major rate and concentration limitation of the product. The organic/aqueous distribution coefficients of a number of potential BuOH extractants were measured and tested several in culture. The most effective appeared to be polyoxyalkylene ethers, which had distribution coefficients in the range of 1.5-3 and showed little or no fermentation toxicity. The esters and alcs. tested generally had better distribution coefficients but higher biotoxicity. Pressurization of the fermentation vessel with H₂ appeared to decrease, rather than increase, the formation of neutral solvents.

Developments in Industrial Microbiology Series published new progress about 110-34-9. 110-34-9 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ester, name is Isobutyl palmitate, and the molecular formula is C20H40O2, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Ortiz, Pablo published the artcileCopper-Catalyzed Enantioselective Alkylation of Enolizable Ketimines with Organomagnesium Reagents, Category: esters-buliding-blocks, the publication is Angewandte Chemie, International Edition (2017), 56(11), 3041-3044, database is CAplus and MEDLINE.

Inexpensive and readily available organomagnesium reagents were used for the catalytic enantioselective alkylation of enolizable N-sulfonyl ketimines [e.g., I + HexMgBr → II (71% yield, 74% ee)]. The low reactivity and competing enolization of the ketimines was overcome by the use of a copper-phosphine chiral catalyst, which also rendered the transformation highly chemoselective and enantioselective for a broad range of ketimine substrates.

Angewandte Chemie, International Edition published new progress about 1877-71-0. 1877-71-0 belongs to esters-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Ester, name is 3-(Methoxycarbonyl)benzoic acid, and the molecular formula is C9H8O4, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Medina-Mercado, Ignacio published the artcileGold-Catalyzed Ascorbic Acid-Induced Arylative Carbocyclization of Alkynes with Aryldiazonium Tetrafluoroborates, Category: esters-buliding-blocks, the publication is ACS Catalysis (2021), 11(15), 8968-8977, database is CAplus.

Herein, arylative carbocyclization of alkynes 2-R-4-R¹-C₆H₃XCH₂CCR² (X = O, S, NTs; R = H, I; R¹ = H, OMe, Br, Ph, etc.; R² = n-Bu, Ph, thiophen-2-yl, etc.) catalyzed by gold was described. In this process, Au(I) is oxidized to Au(III) with aryldiazonium tetrafluoroborates R³C₆H₄N₂BF₄ (R³ = 4-NO₂, 3-CN, 4-C(O)OEt, etc.) following a photosensitizer-free and irradiation-free protocol. Ascorbic acid acts as a radical initiator, generating aryl radicals. According to DFT calculations, these radicals are added to Au(I), leading to a Au(II) species that is further oxidized to Au(III) with the assistance of a tetrafluoroborate anion. The overall arylative carbocyclization process is very energetically favorable, transforming arylpropargyl ethers into valuable 3,4-diaryl-2H-chromenes I in a completely regio- and stereoselective fashion. Furthermore, one of the synthesized 3,4-diaryl-2H-chromenes I exhibits polymorphism with marked differences in the color of its crystals, a property that could lead to the development of colored derivatives in the future.

ACS Catalysis published new progress about 31570-04-4. 31570-04-4 belongs to esters-buliding-blocks, auxiliary class Mono-phosphine Ligands, name is Tris(2,4-di-tert-butylphenyl) phosphite, and the molecular formula is C42H63O3P, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Ding, Chao published the artcileComputer-Aided Formulation of Magnetic Pastes for Composition Improvement for Power Magnetics, Synthetic Route of 15625-89-5, the publication is IEEE Transactions on Magnetics (2022), 58(5), 2000608, database is CAplus.

The size of magnetic components can be reduced with novel designs, but the intricate structures are difficult to make due to the limited sets of conventional magnetic core geometries and materials. Magnetic pastes have the flexibility of forming complicated structures with a pressure-less and low-temperature molding process, and are ideal for making the novel magnetic designs. The conventional approach of developing magnetic pastes involves time-consuming exptl. iterations to determine the optimal composition parameters. Instead of relying on the trial-and-error efforts, we explored a computer-aided approach to guiding the magnetic paste development by creating material’s microstructure by discrete element method (DEM) and studying the property by finite element method (FEM). From a starting formula with two different-sized spherical powders, we improved the composition guided by DEM and FEM, and studied the magnetic permeability vs. two variables: powder mixing ratio and magnetic volume fraction. The simulated permeability agreed well with the exptl. data with an average error of only 10%. With the computeraided formulation methodol. demonstrated in this work, one can develop magnetic pastes with min. exptl. efforts and explore different compositions to meet various magnetic design needs.Index Terms-Computer-aided formulation, discrete element method (DEM), finite element method (FEM), magnetic pastes.

IEEE Transactions on Magnetics published new progress about 15625-89-5. 15625-89-5 belongs to esters-buliding-blocks, auxiliary class Polymerization Reagents,Crosslinkers, name is Trimethylolpropane triacrylate, and the molecular formula is C15H20O6, Synthetic Route of 15625-89-5.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Lang, S. A. Jr. published the artcileβ-Aminocinnamonitriles as potential antiinflammatory agents, Category: esters-buliding-blocks, the publication is Journal of Medicinal Chemistry (1975), 18(4), 441-3, database is CAplus and MEDLINE.

Of 13 title compounds, prepared by the reaction of salts of acetonitrile [75-05-8] and propionitrile [107-12-0] with the appropriate arylnitrile, only the parent β-aminocinnamonitrile [1823-99-0] had activity comparable to aspirin [50-78-2] in the carrageenan-induced rat paw edema test. Of 7 aminoarylacrylonitriles, prepared by the reaction of arylcyanoacetaldehydes with formamide derivatives, and 5 phenylpropiolate derivatives, none showed antiinflammatory activity.

Journal of Medicinal Chemistry published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, Category: esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Ovalle, Cristian published the artcileNanocavitation mechanisms in deformed High Density PolyEthylene (HDPE) using synchrotron radiation NanoTomography, Quality Control of 31570-04-4, the publication is Polymer (2021), 123959, database is CAplus.

The nanocavitation distribution in deformed High D. PolyEthylene (HDPE) was investigated. A flat notched sample of HDPE, deformed under steady crosshead speed up to the end of the stress softening, was observed by classical synchrotron parallel beam microtomog. and magnified holotomog. with a true spatial resolution of 0.7μm and 0.05μm, resp. Image processing, 3D image segmentation and 2D-Fast Fourier Transform, was shown to lead to quantification of void volume fraction and void size distributions. Nanocavitation morphol. and distribution in HDPE reveal to be similar to cavitation mechanisms in other semi-crystalline polymers, but at a different scale. While a slight decrease of the void diameter was seen, from the end of the neck shoulder to the extended neck region, a significant increment of the height was evidenced. Furthermore, the results provide compelling evidence of morphol. transition of cavities within the test sample from an oblate to a prolate geometry.

Polymer published new progress about 31570-04-4. 31570-04-4 belongs to esters-buliding-blocks, auxiliary class Mono-phosphine Ligands, name is Tris(2,4-di-tert-butylphenyl) phosphite, and the molecular formula is C42H63O3P, Quality Control of 31570-04-4.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Fitzgerald, J. W. published the artcileThe occurrence of an inducible arylsulfatase in Comamonas terrigena, Name: Potassium 4-nitrophenyl sulfate, the publication is FEMS Microbiology Letters (1977), 2(4), 221-4, database is CAplus.

When C. terrigena was cultured in a synthetic mineral medium containing p-nitrophenyl sulfate (NPS) as S source, growth occurred after a 35-h lag and was accompanied by the increased ability of cell extracts to hydrolyze NPS and by the release from intact cells of p-nitrophenol. A S-mediated derepression mechanism for the pos. control of arylsulfatase is apparently absent in C. terrigena since the cells exhibited low activity after growth without added S or in the presence of Na₂SO₄ or methionine. NPS produced ∼2000-fold increase in arylsulfatase activity, indicating that the enzyme is substrate-inducible. NPS was the most effective inducer and substrate for arylsulfatase compared with p-nitrocatechol sulfate, p-acetylphenyl sulfate, and L-tyrosine-O-sulfate.

FEMS Microbiology Letters published new progress about 6217-68-1. 6217-68-1 belongs to esters-buliding-blocks, auxiliary class Salt,Nitro Compound,Sulfonate,Benzene, name is Potassium 4-nitrophenyl sulfate, and the molecular formula is C6H4KNO6S, Name: Potassium 4-nitrophenyl sulfate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Joseph Srinivasan, Shiny published the artcileE. coli Nickel-Iron Hydrogenase 1 Catalyses Non-native Reduction of Flavins: Demonstration for Alkene Hydrogenation by Old Yellow Enzyme Ene-reductases, HPLC of Formula: 617-52-7, the publication is Angewandte Chemie, International Edition (2021), 60(25), 13824-13828, database is CAplus and MEDLINE.

A new activity for the [NiFe] uptake hydrogenase 1 of Escherichia coli (Hyd1) is presented. Direct reduction of biol. flavin cofactors FMN and FAD is achieved using H₂ as a simple, completely atom-economical reductant. The robust nature of Hyd1 is exploited for flavin reduction across a broad range of temperatures (25-70°C) and extended reaction times. The utility of this system as a simple, easy to implement FMNH₂ or FADH₂ regenerating system is then demonstrated by supplying reduced flavin to Old Yellow Enzyme “ene-reductases” to support asym. alkene reductions with up to 100% conversion. Hyd1 turnover frequencies up to 20.4 min^-1 and total turnover numbers up to 20 200 were recorded during flavin recycling.

Angewandte Chemie, International Edition published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H10O4, HPLC of Formula: 617-52-7.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics