Month: December 2022

Diego, Rosa published the artcileDesigned asymmetric coordination helicates with bis-β-diketonate ligands, Recommanded Product: 3-(Methoxycarbonyl)benzoic acid, the publication is Dalton Transactions (2019), 48(45), 16844-16847, database is CAplus and MEDLINE.

A new bis-(β-diketone) ligand featuring built-up structural asymmetry yields non-sym. Fe(III) and Ga(III) dinuclear, triple-stranded helicates by design. Their structural properties have been studied, both in solid state and in solution, and compared with their corresponding sym. analogs. The robustness observed shows the potential of this synthetic strategy to develop non-sym. helicoidal motifs with specific functional groups.

Dalton Transactions 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, Recommanded Product: 3-(Methoxycarbonyl)benzoic acid.

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

Gaiser, Birgit I. published the artcileProbing the Existence of a Metastable Binding Site at the β₂-Adrenergic Receptor with Homobivalent Bitopic Ligands, Recommanded Product: (R)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate, the publication is Journal of Medicinal Chemistry (2019), 62(17), 7806-7839, database is CAplus and MEDLINE.

Herein, we report the development of bitopic ligands aimed at targeting the orthosteric binding site (OBS) and a metastable binding site (MBS) within the same receptor unit. Previous mol. dynamics studies on ligand binding to the β₂-adrenergic receptor (β₂AR) suggested that ligands pause at transient, less-conserved MBSs. We envisioned that MBSs can be regarded as allosteric binding sites and targeted by homobivalent bitopic ligands linking two identical pharmacophores. Such ligands were designed based on docking of the antagonist (S)-alprenolol into the OBS and an MBS and synthesized. Pharmacol. characterization revealed ligands with similar potency and affinity, slightly increased β₂/β₁AR-selectivity, and/or substantially slower β₂AR off-rates compared to (S)-alprenolol. Truncated bitopic ligands suggested the major contribution of the metastable pharmacophore to be a hydrophobic interaction with the β₂AR, while the linkers alone decreased the potency of the orthosteric fragment. Altogether, the study underlines the potential of targeting MBSs for improving the pharmacol. profiles of ligands.

Journal of 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, Recommanded Product: (R)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate.

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

Zhang, Boran published the artcileMolecular mechanism of Gleditsiae Spina for the treatment of high-grade serous ovarian cancer based on network pharmacology and pharmacological experiments, Recommanded Product: Methyl 3-phenyl-2-propenoate, the publication is BioMed Research International (2022), 5988310, database is CAplus and MEDLINE.

Gleditsiae Spina, widely used in traditional Chinese medicine, has a good curative effect on malignant tumors such as ovarian cancer, but the mechanism is not clear. So, we aimed to analyze the pharmacol. mechanism of Gleditsiae Spina in the treatment of high-grade serous ovarian cancer (HGSC) based on network pharmacol. and biol. experiments The main active ingredients of Gleditsiae Spina were identified by high performance liquid chromatog. (HPLC) and mass spectrometry (MS), and the active ingredients were performed by ADME screening. The component targets of Gleditsiae Spina were screened using the PharmMapper platform, and differentially expressed genes in normal and HGSC tissues were identified through the GEO database. Thereafter, the network of “active ingredient-targets” was constructed by cytoscape 3.7.2 software. The protein-protein interaction network was established by the BioGenet database to mine the potential protein function. Biol. processes and pathways were analyzed through Gene Ontol. and Kyoto Encyclopedia of Genes and Genomes anal. The binding ability of the core components of the Gleditsiae Spina and the core target of HGSC was verified by mol. docking and mol. dynamics simulation, and the therapeutic effect of Gleditsiae Spina was proved in vitro through cytotoxicity experiments The effect of Gleditsiae Spina on the core pathway is obtained by western blotting. Gleditsiae Spina had cytotoxicity on HGSC based on network pharmacol. and biol. experiments Luteolin, genistein, D-(+)-tryptophan, ursolic acid, and berberine are the identified core active ingredients of Gleditsiae Spina for regulating HGSC, with HPSE, PI3KCA, AKT1, and CTNNB1as the ideal targets. The prediction results were verified by mol. docking, mol. dynamic simulation, cell viability, and western blot anal. Gleditsiae Spina mainly downregulates the expression of heparanase and β-catenin to affect the composition of tumor cytoplasmic matrix and can regulate the PI3K-AKT pathway, integrating multiple targets and multiple pathways to play a therapeutic role. It also provides a theor. basis for the prevention of ovarian cancer and its treatment using traditional Chinese medicine in the future.

BioMed Research International published new progress about 103-26-4. 103-26-4 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester,Protease,Tyrosinase,Natural product, name is Methyl 3-phenyl-2-propenoate, and the molecular formula is C20H17FO4S, Recommanded Product: Methyl 3-phenyl-2-propenoate.

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

Calow, Adam D. J. published the artcileCarbonylative N-Heterocyclization via Nitrogen-Directed C-C Bond Activation of Nonactivated Cyclopropanes, Application of Dimethyl fumarate, the publication is Journal of the American Chemical Society (2022), 144(25), 11069-11074, database is CAplus and MEDLINE.

Under Rh-catalyzed conditions, secondary amines and anilines function as directing groups to facilitate regioselective C-C bond activation of nonactivated cyclopropanes. The resulting amino-stabilized rhodacycles underwent carbonylative C-N bond formation en route to challenging seven- and eight-membered lactams. The processes represented rare examples where C-C bond oxidative addition of nonactivated cyclopropanes is exploited in reaction design.

Journal of the American Chemical Society published new progress about 624-49-7. 624-49-7 belongs to esters-buliding-blocks, auxiliary class Inhibitor,Natural product, name is Dimethyl fumarate, and the molecular formula is C6H8O4, Application of Dimethyl fumarate.

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

Xu, Shaofu published the artcileA splitless injector for capillary gas chromatography in the trace analysis of insect pheromones, Category: esters-buliding-blocks, the publication is Kunchongxue Yanjiu Jikan (1986), 265-70, database is CAplus.

A splitless injector for gas chromatog. with a septum purge and liner purge flow for clearing off materials from the septum and minimizing solvent tails was designed and made, which can increase injected volume and sensitivity. The splitless injector was set up on a SP-103 gas chromatograph and used for the determination of insect pheromones. By using the splitless injector and a PEG-20 M capillary column, satisfactory results were obtained in separating geometrical and positional isomers of insect pheromones. The splitless injector is suitable for the determination of insect pheromones and other trace anal.

Kunchongxue Yanjiu Jikan published new progress about 16974-11-1. 16974-11-1 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is (Z)-Dodec-9-en-1-yl acetate, and the molecular formula is C4H11NO, Category: esters-buliding-blocks.

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

Zhang, Wei published the artcileHighly Reactive Cyclic Carbonates with a Fused Ring toward Functionalizable and Recyclable Polycarbonates, Recommanded Product: Dimethyl fumarate, the publication is ACS Macro Letters (2022), 11(2), 173-178, database is CAplus and MEDLINE.

Monomer design plays an important role in the development of polymers with desired thermal properties and chem. recyclability. Here we prepared a class of seven-membered ring carbonates containing trans-cyclohexyl fused rings. These monomers showed excellent activity for ring-opening polymerization (ROP) with turnover frequency (TOF) up to 6 x 10⁵ h^-1 and catalyst loading down to 50 ppm, which yielded high-mol.-weight polycarbonates (M_n up to 673 kg/mol) with great thermostability (T_d > 300°C). Ultimately, the resulting polycarbonates can completely depolymerize into their corresponding cyclic dimers that can repolymerize to synthesize the starting polymers in moderate yields, demonstrating a potential route to achieve chem. recycling. Post-functionalization of the unsaturated polycarbonate was conducted through crosslinking reaction and “click” reaction under UV irradiation

ACS Macro Letters published new progress about 624-49-7. 624-49-7 belongs to esters-buliding-blocks, auxiliary class Inhibitor,Natural product, name is Dimethyl fumarate, and the molecular formula is C8H7ClO3, Recommanded Product: Dimethyl fumarate.

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

Lin, Hongkun published the artcileA Rapid Total Synthesis of Ciprofloxacin Hydrochloride in Continuous Flow, HPLC of Formula: 924-99-2, the publication is Angewandte Chemie, International Edition (2017), 56(30), 8870-8873, database is CAplus and MEDLINE.

Within a total residence time of 9 min, the sodium salt of ciprofloxacin was prepared from simple building blocks via a linear sequence of six chem. reactions in five flow reactors. Sequential offline acidifications and filtrations afforded ciprofloxacin and ciprofloxacin hydrochloride. The overall yield of the eight-step sequence was 60 %. No separation of intermediates was required throughout the synthesis when a single acylation reaction was applied to remove the main byproduct, dimethylamine.

Angewandte Chemie, International Edition 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, HPLC of Formula: 924-99-2.

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

Drzewinski, Witold published the artcileAntiferroelectric liquid crystals with fluorinated parts of terminal chains. I. Synthesis of liquid crystalline compounds and their intermediates, Category: esters-buliding-blocks, the publication is Biuletyn Wojskowej Akademii Technicznej (1998), 47(7-8), 53-68, database is CAplus.

The method of preparing the optically active hydroxyesters: 1-hydroxy-4-(octyl-2-oxycarbonyl)benzene, 4-hydroxy-4′-(octyl-2-oxycarbonyl)biphenyl, 4-(octyl-2-oxycarbonyl)-Ph 4′-hydroxybiphenyl-4-carboxylate and 4′-(octyl-2-oxycarbonyl)biphenyl-4-yl 4-hydroxybenzoate, has been elaborated. These intermediates were used for the synthesis of liquid crystalline homologous series of di- and triesters exhibiting the presence of tilted phases C_A^* and C^*.

Biuletyn Wojskowej Akademii Technicznej published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, Category: esters-buliding-blocks.

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

Drzewinski, W. published the artcileOrthoconic antiferroelectrics. Synthesis and mesomorphic properties of optically active (S)-(+)-4-(1-methylheptyloxycarbonyl)phenyl 4′-(fluoroalkanoyloxyalkoxy)biphenyl-4-carboxylates and 4′-(alkanoyloxyalkoxy)biphenyl-4-carboxylates, Application of Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, the publication is Polish Journal of Chemistry (2002), 76(2-3), 273-284, database is CAplus.

Convenient methods for preparing optically active (S)-(+)-4-RCO₂(CH₂)_mOC₆H₄C₆H₄CO₂C₆H₄CO₂CHMe(CH₂)₅Me [R = Me, Et, Pr, F₃CCH₂CH₂, F₃CCF₂CF₂] and their intermediates are described. The phase transitions of the prepared esters have been investigated by differential scanning calorimetry.

Polish Journal of Chemistry published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, Application of Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate.

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

Arantes, Luciano Chaves published the artcilePlastic antioxidants: A family of cocaine cutting agents analyzed by short column gas chromatography-mass spectrometry, Safety of Tris(2,4-di-tert-butylphenyl) phosphite, the publication is Journal of Chromatography A (2022), 463170, database is CAplus and MEDLINE.

Plastic antioxidants (PAOs), which are used in the industry to prevent degradation caused by thermo-mech. or thermo-oxidative conditions, have been found in cocaine products seized by the Civil Police of the Federal District, Brazil, since 2019. In this study, a 4-m short column gas chromatog.-mass spectrometry (GC-MS) qual. method was optimized and validated to detect cocaine, PAOs (antioxidant 168, FOS; antioxidant 1076, NOX; and butylated hydroxytoluene, BHT) and 16 other cutting agents in cocaine base and salt. NOX and FOS are high-boiling-point compounds that are not amenable to the standard GC-MS methods. The method uses a 250 °C split mode injection, final temperature of 280 °C, and a total run time of 16.5 min. PAOs were found in 84.2% of the 38 cocaine base samples and in 21.5% of the 65 cocaine salt samples (mainly NOX); 20 samples that did not contain any cocaine also contained PAOs (30% NOX and 25% FOS). Other cutting agents found in the samples included phenacetin, aminopyrine, and lidocaine in cocaine base; lidocaine, tetracaine, and caffeine in cocaine salt. This is the first report of PAOs detected as cocaine cutting agents and shows another important application of the short column GC-MS method in forensic science that can also be applied in other areas involving these compounds

Journal of Chromatography A 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, Safety of Tris(2,4-di-tert-butylphenyl) phosphite.

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