Category: 127972-00-3

Kida, Motoki published the artcileSpherand complexes with Li+ and Na+ ions in the gas phase: encapsulation structure and characteristic unimolecular dissociation, Quality Control of 127972-00-3, the main research area is lithium sodium Spherand complex formation DFT calculation.

The authors investigated the complexes of Cram’s hexa(p-anisole) spherands (SPR, 1) with Li+ and Na+ ions (1·Li+ and 1·Na+) isolated in the gas phase. Despite the small conformational difference between 1·Li+ and 1·Na+ owing to the rigid framework of 1, UV photodissociation (UVPD) spectroscopy under cryogenic (~10 K) conditions yielded clearly distinguishable absorption edges: ~34,000 and ~34,500 cm-1 for 1·Li+ and 1·Na+, resp. The spectral assignment and the preorganization characteristics of the host mol. were compared with those of dibenzo-18-crown-6-ether (DB18C6) complexes, which have more flexible frameworks. Also, the authors revealed the characteristic unimol. dissociation of the 1·Li+ complex using UVPD and collision-induced dissociation (CID); the formation of fragment ions with dibenzofuran moieties was detected. This dissociation pattern was ascribed to the efficient release of di-Me ether mol.(s) from the 1·Li+ complex, which is characteristic of the cyclic skeleton formed with six methoxy groups in the SPR.

Physical Chemistry Chemical Physics published new progress about Conformers. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, Quality Control of 127972-00-3.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Rausaria, Smita published the artcileManganese(III) Complexes of Bis(hydroxyphenyl)dipyrromethenes Are Potent Orally Active Peroxynitrite Scavengers, SDS of cas: 127972-00-3, the main research area is manganese chelate biscyclohexano fused bishydroxyphenyldipyrromethene preparation crystal structure; oral analgesic activity manganese chelate biscyclohexano fused bishydroxyphenyldipyrromethene; peroxynitrite scavenger manganese chelate biscyclohexano fused bishydroxyphenyldipyrromethene.

The authors report biscyclohexano-fused Mn(III) complexes of bis(hydroxyphenyl)dipyrromethenes, complexes I (R1 = H, Me, or F, 4a-c, resp.,) as potent and orally active peroxynitrite scavengers. Complexes 4a-c reduce peroxynitrite through a two-electron mechanism, thereby forming the corresponding Mn(V)O species, which were characterized by UV, NMR, and LC-MS methods. Mn(III) complex 4b and its strained boron (BODIPY) analog 9b were analyzed by x-ray crystallog. Finally, complex 4a is an orally active and potent analgesic in a model carrageenan-induced hyperalgesia known to be driven by the over-production of peroxynitrite.

Journal of the American Chemical Society published new progress about Analgesics. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, SDS of cas: 127972-00-3.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Demuner, Antonio Jacinto published the artcileThe Fungal Phytotoxin Alternariol 9-Methyl Ether and Some of Its Synthetic Analogues Inhibit the Photosynthetic Electron Transport Chain, SDS of cas: 127972-00-3, the main research area is Alternaria phytotoxin alternariol methyl ether analog preparation inhibition photosynthesis.

Alternariol and monomethylalternariol are natural phytotoxins produced by some fungal strains, such as Nimbya and Alternaria. These substances confer virulence to phytopathogens, yet no information is available concerning their mode of action. Here it is shown that in the micromolar range alternariol 9-Me ether is able to inhibit the electron transport chain (IC50 = 29.1 ± 6.5 μM) in isolated spinach chloroplasts. Since its effectiveness is limited by poor solubility in water, several alternariol analogs were synthesized using different aromatic aldehydes. The synthesized 6H-benzo-[c]-cromen-6-ones, 5H-chromene-[4,3-b]-pyridin-5-one, and 5H-chromene-[4,3-c]-pyridin-5-one also showed inhibitory properties, and three 6H-benzo-[c]-cromen-6-ones were more effective (IC50 = 12.8-22.8 μM) than the lead compound Their addition to the culture medium of a cyanobacterial model strain was found to inhibit algal growth, with a relative effectiveness that was consistent with their activity in vitro. In contrast, the growth of a nonphotosynthetic plant cell culture was poorly affected. These compounds may represent a novel lead for the development of new active principles targeting photosynthesis.

Journal of Natural Products published new progress about Alternaria. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, SDS of cas: 127972-00-3.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Kida, Motoki published the artcileSpherand complexes with Li+ and Na+ ions in the gas phase: encapsulation structure and characteristic unimolecular dissociation, Quality Control of 127972-00-3, the main research area is lithium sodium Spherand complex formation DFT calculation.

The authors investigated the complexes of Cram’s hexa(p-anisole) spherands (SPR, 1) with Li+ and Na+ ions (1·Li+ and 1·Na+) isolated in the gas phase. Despite the small conformational difference between 1·Li+ and 1·Na+ owing to the rigid framework of 1, UV photodissociation (UVPD) spectroscopy under cryogenic (~10 K) conditions yielded clearly distinguishable absorption edges: ~34,000 and ~34,500 cm-1 for 1·Li+ and 1·Na+, resp. The spectral assignment and the preorganization characteristics of the host mol. were compared with those of dibenzo-18-crown-6-ether (DB18C6) complexes, which have more flexible frameworks. Also, the authors revealed the characteristic unimol. dissociation of the 1·Li+ complex using UVPD and collision-induced dissociation (CID); the formation of fragment ions with dibenzofuran moieties was detected. This dissociation pattern was ascribed to the efficient release of di-Me ether mol.(s) from the 1·Li+ complex, which is characteristic of the cyclic skeleton formed with six methoxy groups in the SPR.

Physical Chemistry Chemical Physics published new progress about Conformers. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, Quality Control of 127972-00-3.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Rausaria, Smita published the artcileManganese(III) Complexes of Bis(hydroxyphenyl)dipyrromethenes Are Potent Orally Active Peroxynitrite Scavengers, SDS of cas: 127972-00-3, the main research area is manganese chelate biscyclohexano fused bishydroxyphenyldipyrromethene preparation crystal structure; oral analgesic activity manganese chelate biscyclohexano fused bishydroxyphenyldipyrromethene; peroxynitrite scavenger manganese chelate biscyclohexano fused bishydroxyphenyldipyrromethene.

The authors report biscyclohexano-fused Mn(III) complexes of bis(hydroxyphenyl)dipyrromethenes, complexes I (R1 = H, Me, or F, 4a-c, resp.,) as potent and orally active peroxynitrite scavengers. Complexes 4a-c reduce peroxynitrite through a two-electron mechanism, thereby forming the corresponding Mn(V)O species, which were characterized by UV, NMR, and LC-MS methods. Mn(III) complex 4b and its strained boron (BODIPY) analog 9b were analyzed by x-ray crystallog. Finally, complex 4a is an orally active and potent analgesic in a model carrageenan-induced hyperalgesia known to be driven by the over-production of peroxynitrite.

Journal of the American Chemical Society published new progress about Analgesics. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, SDS of cas: 127972-00-3.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Demuner, Antonio Jacinto published the artcileThe Fungal Phytotoxin Alternariol 9-Methyl Ether and Some of Its Synthetic Analogues Inhibit the Photosynthetic Electron Transport Chain, SDS of cas: 127972-00-3, the main research area is Alternaria phytotoxin alternariol methyl ether analog preparation inhibition photosynthesis.

Alternariol and monomethylalternariol are natural phytotoxins produced by some fungal strains, such as Nimbya and Alternaria. These substances confer virulence to phytopathogens, yet no information is available concerning their mode of action. Here it is shown that in the micromolar range alternariol 9-Me ether is able to inhibit the electron transport chain (IC50 = 29.1 ± 6.5 μM) in isolated spinach chloroplasts. Since its effectiveness is limited by poor solubility in water, several alternariol analogs were synthesized using different aromatic aldehydes. The synthesized 6H-benzo-[c]-cromen-6-ones, 5H-chromene-[4,3-b]-pyridin-5-one, and 5H-chromene-[4,3-c]-pyridin-5-one also showed inhibitory properties, and three 6H-benzo-[c]-cromen-6-ones were more effective (IC50 = 12.8-22.8 μM) than the lead compound Their addition to the culture medium of a cyanobacterial model strain was found to inhibit algal growth, with a relative effectiveness that was consistent with their activity in vitro. In contrast, the growth of a nonphotosynthetic plant cell culture was poorly affected. These compounds may represent a novel lead for the development of new active principles targeting photosynthesis.

Journal of Natural Products published new progress about Alternaria. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, SDS of cas: 127972-00-3.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Alhambra, Cristobal published the artcileDevelopment and SAR of functionally selective allosteric modulators of GABAA receptors, Related Products of ethers-buliding-blocks, the main research area is cinnoline quinoline derivative preparation GABAA receptor selectivity allosteric modulator; structure activity relationship cinnoline quinoline GABAA receptor modulator.

Pos. modulators at the benzodiazepine site of α2- and α3-containing GABAA receptors are believed to be anxiolytic. Through oocyte voltage clamp studies, two series of compounds have been discovered that are pos. modulators at α2-/α3-containing GABAA receptors and that show no functional activity at α1-containing GABAA receptors. Studies to improve this functional selectivity and ultimately deliver clin. candidates are reported. The functional SAR of cinnolines and quinolines that are pos. allosteric modulators of the α2- and α3-containing GABAA receptors, while simultaneously neutral antagonists at α1-containing GABAA receptors, is described. Such functionally selective modulators of GABAA receptors are expected to be useful in the treatment of anxiety and other psychiatric illnesses.

Bioorganic & Medicinal Chemistry published new progress about Allosterism. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, Related Products of ethers-buliding-blocks.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Li, Yongtao published the artcileBuilding a Chemical Toolbox for Human Pregnane X Receptor Research: Discovery of Agonists, Inverse Agonists, and Antagonists Among Analogs Based on the Unique Chemical Scaffold of SPA70, Formula: C8H11BO3, the main research area is pregnane X receptor agonist antagonist inverse agonist SPA70 analog.

Pregnane X receptor (PXR) plays roles in detoxification and other physiol. processes. PXR activation may enhance drug metabolism (leading to adverse drug reactions) or inhibit inflammation. Therefore, PXR agonists, antagonists, and inverse agonists may serve as research tools and drug candidates. However, a specific PXR modulator with an associated structure-activity relationship is lacking. Based on the scaffold of specific human PXR (hPXR) antagonist SPA70 (10), we developed 81 SPA70 analogs and evaluated their receptor-binding and cellular activities. Interestingly, analogs with subtle structural differences displayed divergent cellular activities, including agonistic, dual inverse agonistic and antagonistic, antagonistic, and partial agonistic/partial antagonistic activities (as in compounds 111, 10, 97, and 42, resp.). We generated a pharmacophore model that represents 81 SPA70 analogs, and docking models that correlate strong interactions between the compounds and residues in the AF-2 helix with agonistic activity. These compounds are novel chem. tools for studying hPXR.

Journal of Medicinal Chemistry published new progress about Cytotoxicity. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, Formula: C8H11BO3.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Friedman, Adam A. published the artcileRh/Pd Catalysis with Chiral and Achiral Ligands: Domino Synthesis of Aza-Dihydrodibenzoxepines, Safety of 2-Methoxy-5-methylphenylboronic acid, the main research area is palladium rhodium ligand domino tandem reaction; chemoselectivity; domino catalysis; enantioselectivity; heterocycles; multi-catalytic reactions.

Under optimized reaction conditions, the synthesis of the target compounds was achieved using bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-hydroxydirhodium, palladium(II) acetate and bis(1,1-dimethylethyl)[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine as catalyst combination. Di-μ-chlorobis(η2-ethene)dirhodium was also used as a catalyst. Reactants included (ethenyl)pyridine derivatives, such as 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine, 5-chloro-6-ethenyl-3-pyridinecarbonitrile. Reactants inlcuded 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol derivatives The title compounds thus formed included benzoxepinopyridine derivative (I) and related substances [pyrido[3,2-b][1]benzoxepine derivatives]. Par.

Angewandte Chemie, International Edition published new progress about Alkenylation. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, Safety of 2-Methoxy-5-methylphenylboronic acid.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Garino, Cedrik published the artcileNew 2-bromomethyl-8-substituted-benzo[c]chromen-6-ones. Synthesis and biological properties, Related Products of ethers-buliding-blocks, the main research area is bromomethyl benzochromenone preparation enzyme inhibitor.

New 2-bromomethyl-8-substituted-benzo[c]chromen-6-ones have been synthesized and their bioactive properties have been evaluated on different enzymic models: serine proteases (trypsin and α-chymotrypsin), HIV aspartyl protease, nitric oxide synthase and a panel of protein kinases. These new derivatives can provide upon chem. or enzymic attack, very reactive quinonimine methide intermediates, which could be utilized for the design of enzyme inhibitors. We found that some of these new derivatives exhibit modest inhibitory activities on the studied enzyme models, but it could be improved after structure optimization.

Bioorganic & Medicinal Chemistry Letters published new progress about bromomethyl benzochromenone preparation enzyme inhibitor. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, Related Products of ethers-buliding-blocks.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem