Month: December 2022

Zhang, Kaiyue published the artcileVisible-light-induced selective oxidation of amines into imines over UiO-66-NH₂@Au@COF core-shell photocatalysts, HPLC of Formula: 6850-57-3, the publication is ACS Sustainable Chemistry & Engineering (2021), 9(37), 12623-12633, database is CAplus.

Efficient and stable photocatalysts for selective oxidative coupling of amines to imines are crucial to the conversion of sustainable solar energy to value-added chem. energy. In this work, UiO-66-NH₂@Au@COF core-shell nanocomposites with intercalated Au nanoparticles between the UiO-66-NH₂ core and the covalent-organic framework (COF) shell have been demonstrated to exhibit enhanced activity and stability for visible-light-driven aerobic selective oxidation of amines to imines. With optimized Au and two-dimensional π-conjugated COF content, the obtained UiO-66-NH₂@Au_0.5@COF1 photocatalyst exhibited the highest conversion of benzylamine with an imine yield of 66.9% for at least five cycles. It is revealed that the introduction of appropriate Au and COF could not only broaden the visible-light absorption band but also promote the separation of photoinduced charge carriers and enhance the photocatalytic performance. Furthermore, a rational mechanism was explored to elucidate the process of photocatalytic reaction. The intercalated Au nanoparticles with the localized surface plasmon resonance (LSPR) effect act as generators of hot electrons and also transfer channels for the photo-generated electrons from the COF shell to the UiO-66-NH₂ core. Importantly, the MOF@metal@COF photocatalysts might provide a promising strategy to construct photocatalysts with desirable activity and stability under visible-light illumination.

ACS Sustainable Chemistry & Engineering published new progress about 6850-57-3. 6850-57-3 belongs to ethers-buliding-blocks, auxiliary class Amine,Benzene,Ether, name is (2-Methoxyphenyl)methanamine, and the molecular formula is C7H15NO, HPLC of Formula: 6850-57-3.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Lou, Qian published the artcileDegradation of sulfonamides in aquaculture wastewater by laccase-syringaldehyde mediator system: Response surface optimization, degradation kinetics, and degradation pathway, Safety of 4-Hydroxy-3,5-dimethoxybenzaldehyde, the publication is Journal of Hazardous Materials (2022), 128647, database is CAplus and MEDLINE.

As a new type of environmental pollutant, environmental antibiotic residues have attracted widespread attention, and the degradation and removal of antibiotics has become an engaging topic for scholars. In this paper, Novozym 51003 industrialized laccase and syringaldehyde were combined to degrade sulfonamides in aquaculture wastewater. Design Expert10 software was used for multiple regression anal., and a response surface regression model was established to obtain the optimal degradation parameters. In the actual application, the degradation system could maintain a stable performance within 9 h, and timely supplement of the mediator could achieve a better continuous degradation effect. Low concentrations of heavy metals and organic matter would not significantly affect the degradation performance of the laccase-mediator system, making the degradation system suitable for a wide range of water quality. Enzymic reaction kinetics demonstrated a strong affinity of sulfadiazine to the substrate. Ten degradation products were speculated using high-resolution mass spectrum based on the mass/charge ratios and the publication results. Four types of possible degradation pathways of sulfadiazine were deduced. This work provides a practical method for the degradation and removal of sulfonamide antibiotics in actual sewage.

Journal of Hazardous Materials published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C9H10O4, Safety of 4-Hydroxy-3,5-dimethoxybenzaldehyde.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Zhu, Shijun published the artcileSynthesis and Configuration of Neomaclafungin A, Product Details of C21H37BO, the publication is Chemistry – An Asian Journal (2017), 12(17), 2211-2215, database is CAplus and MEDLINE.

The relative and absolute configuration of neomaclafungins were impossible to establish by spectroscopic analyses alone because of the lack of exploitable ¹H-¹H couplings and NOEs between the upper and the lower subunits. This very difficult task now is finally completed by an enantioselective total synthesis of neomaclafungin A (revised) and its diastereomer (reported). The results also provided a key reference for the complete structures for other neomaclafungins and the long-known closely related natural product maclafungin.

Chemistry – An Asian Journal published new progress about 99438-28-5. 99438-28-5 belongs to ethers-buliding-blocks, auxiliary class Chiral,Aliphatic cyclic hydrocarbon, name is (+)-B-Methoxydiisopinocampheylborane, and the molecular formula is C18H24N6O6S4, Product Details of C21H37BO.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Peng, Bing published the artcilePhotodegradation of naproxen using CuZnAl-layered double hydroxides as photocatalysts, Application In Synthesis of 93-04-9, the publication is CrystEngComm (2022), 24(28), 5080-5089, database is CAplus.

Naproxen (NPX), as a typical pharmaceutical and personal care product (PPCP), is frequently detected in water and is difficult to remove effectively by conventional methods. Layered double hydroxides, as highly efficient photocatalysts, have not been used in photocatalysis of PPCP. In this study, CuZnAl-layered double hydroxide (CuZnAl-LDH) was prepared and its performance in the photocatalytic degradation of NPX under UV light illumination was investigated. The results indicated that the NPX photodegradation is considerably enhanced by CuZnAl-LDH with an efficiency of 98.25% in the optimal conditions, which was obviously more than that under pure light condition (efficiency less than 30%). In addition, the CuZnAl-LDH photocatalyst exhibited superior photocatalytic stability confirmed by the analyses of the catalyst structure, morphol., and cycle experiments Moreover, by the comparison of optical properties of ZnAl-LDH and CuZnAl-LDH, it was found that Cu²⁺ can broaden light absorption and facilitate the separation of photogenerated charges electrons (e^–) and holes (h⁺), and in the CuZnAl-LDH system, the formation mechanism of active species complies with the mechanisms of the ligand-to-metal charge transfer (LMCT) from the 2p orbital of oxygen to the 3d orbital of M²⁺ and of the d-d transition of Cu²⁺ ions of the CuO₆ unit. Besides, ESR and scavenging tests revealed that the photocatalytic process was enhanced by the synergistic effect of h⁺, O₂^–, and OH, which displayed the sequence of h⁺ > ^.O₂^– > ^.OH. Finally, the intermediate products were identified by LCMS-IT-TOF, and no intermediates with greater toxicity than NPX were produced. The possible degradation pathway of NPX was proposed involving the decarboxylation, demethylation, and hydroxylation reactions and ring-opening based on intermediates. These results are expected to provide new data on the photodegradation of naproxen.

CrystEngComm published new progress about 93-04-9. 93-04-9 belongs to ethers-buliding-blocks, auxiliary class Naphthalene,Ether, name is 2-Methoxynaphthalene, and the molecular formula is C11H10O, Application In Synthesis of 93-04-9.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Wang, Xuebao published the artcileDiscovery of N-substituted sulfamoylbenzamide derivatives as novel inhibitors of STAT3 signaling pathway based on Niclosamide, Safety of (2-Methoxyphenyl)methanamine, the publication is European Journal of Medicinal Chemistry (2021), 113362, database is CAplus and MEDLINE.

Signal transducer and activator of transcription 3 (STAT3) has been confirmed as an attractive therapeutic target for cancer therapy. Herein, a series of N-substituted sulfamoylbenzamide STAT3 inhibitors I [R¹ = H, OH; R² = H, Cl; R³ = 2-MeOC₆H₄, 3,4,5-(OMe)₃C₆H₂, 3-MeOC₆H₄CH₂, etc.; R⁴ = H, C(O)Me, C(O)Ph, etc.] based on small-mol. STAT3 inhibitor Niclosamide was synthesized. Compound I [R¹ = H, R² = Cl, R³ = 4-CO₂t-BuC₆H₄, R⁴ = H] the best active compound of this series, was identified as an inhibitor of IL-6/STAT3 signaling with an IC₅₀ of 0.61-1.11μM in MDA-MB-231, HCT-116 and SW480 tumor cell lines with STAT3 overexpression, by inhibiting the phosphorylation of STAT3 of Tyr705 residue and the expression of STAT3 downstream genes, inducing apoptosis and inhibiting the migration of cancer cells. Furthermore, in vivo study revealed that compound I [R¹ = H, R² = Cl, R³ = 4-CO₂t-BuC₆H₄, R⁴ = H] suppressed the MDA-MB-231 xenograft tumor growth in nude mice at the dose of 30 mg/kg (i.g.), which has better antitumor activity than the pos. control Niclosamide. More importantly, compound I [R¹ = H, R² = Cl, R³ = 4-CO₂t-BuC₆H₄, R⁴ = H] was an orally bioavailable anticancer agent as a promising candidate for further development.

European Journal of Medicinal Chemistry published new progress about 6850-57-3. 6850-57-3 belongs to ethers-buliding-blocks, auxiliary class Amine,Benzene,Ether, name is (2-Methoxyphenyl)methanamine, and the molecular formula is C10H10O2, Safety of (2-Methoxyphenyl)methanamine.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Dabral, Saumya published the artcileMechanochemical Oxidation and Cleavage of Lignin β-O-4 Model Compounds and Lignin, Product Details of C16H18O4, the publication is ACS Sustainable Chemistry & Engineering (2018), 6(3), 3242-3254, database is CAplus.

A mechanochem. oxidation and cleavage reaction in lignin β-O-4 model compounds and lignin catalyzed by HO-TEMPO/KBr/Oxone (TEMPO is 2,2,6,6-tetramethyl-1-piperidinyloxy) has been developed under milling conditions. The studies on nonphenolic lignin β-O-4 model compounds led to selective oxidations of the benzylic hydroxyl groups. Subjecting phenolic lignin model compounds to the oxidative conditions in a ball mill initiated aryl-C_α bond cleavage reactions leading to the formation of the corresponding quinones and phenol derivatives Transferring the mechanochem. protocol to lignin resulted in the simultaneous oxidation and cleavage of bonds with varied selectivity for monomeric products. Finally, a scale-up approach of the oxidative procedure by using vibrating disk mill technol. enabled the mechanochem. protocol to be applied in gram-scale batch reactions under reduced milling time, while affording a similar extent of oxidation

ACS Sustainable Chemistry & Engineering published new progress about 183303-74-4. 183303-74-4 belongs to ethers-buliding-blocks, auxiliary class Benzene,Alcohol,Ether, name is 1-(3,4-Dimethoxyphenyl)-2-phenoxyethanol, and the molecular formula is C16H18O4, Product Details of C16H18O4.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

O’Shea, Riley published the artcileSimple improvements to Gilch synthesis and molecular weight modulation of MEH-PPV, Application of 1-((2-Ethylhexyl)oxy)-4-methoxybenzene, the publication is Polymer Chemistry (2020), 11(16), 2831-2837, database is CAplus.

The solvent and temperature used in the Gilch synthesis of poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) were varied to achieve an improved set of reaction conditions. A range of mol. weights from 20 to 500 kg mol^-1 were obtained in moderate to near-quant. yields. The best conditions for producing low mol. weight MEH-PPV (32 kg mol^-1, 97% yield) was to use n-pentane as the reaction solvent at 25°C. For high mol. weight (397 kg mol^-1, 65% yield), toluene at 55°C gave the best result. The photophys. properties for all MEH-PPV samples were examined and no significant variation was found between samples obtained under different polymerization conditions.

Polymer Chemistry published new progress about 146370-51-6. 146370-51-6 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 1-((2-Ethylhexyl)oxy)-4-methoxybenzene, and the molecular formula is C15H24O2, Application of 1-((2-Ethylhexyl)oxy)-4-methoxybenzene.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Wagner, Eva published the artcileMepyramine-JNJ7777120-hybrid compounds show high affinity to hH₁R, but low affinity to hH₄R, Computed Properties of 52818-63-0, the publication is Bioorganic & Medicinal Chemistry Letters (2011), 21(21), 6274-6280, database is CAplus and MEDLINE.

In literature, a synergism between histamine H₁ and H₄ receptor is discussed. Furthermore, it was shown, that the combined application of mepyramine, a H₁ antagonist and JNJ7777120, a H₄ receptor ligand leads to a synergistic effect in the acute murine asthma model. Thus, the aim of this study was to develop new hybrid ligands, containing one H₁ and one H₄ pharmacophore, connected by an appropriate spacer, in order to address both, H₁R and H₄R. Within this study, we synthesized nine hybrid compounds, which were pharmacol. characterized at hH₁R and hH₄R. The new compounds revealed (high) affinity to hH₁R, but showed only low affinity to hH₄R. Addnl., we performed mol. dynamic studies for some selected compounds at hH₁R, in order to obtain information about the binding mode of these compounds on mol. level.

Bioorganic & Medicinal Chemistry Letters published new progress about 52818-63-0. 52818-63-0 belongs to ethers-buliding-blocks, auxiliary class Pyridine,Amine,Benzene,Ether, name is N-(4-Methoxybenzyl)pyridin-2-amine, and the molecular formula is C13H18BClO3, Computed Properties of 52818-63-0.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Schwertz, Geoffrey published the artcileAntimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures, Quality Control of 596819-12-4, the publication is Journal of Medicinal Chemistry (2017), 60(12), 4840-4860, database is CAplus and MEDLINE.

Target-based approaches towards new antimalarial treatments are highly valuable to prevent resistance development. The authors report several series of pyrazolopyran-based inhibitors targeting the enzyme serine hydroxymethyltransferase (SHMT), designed to improve microsomal metabolic stability and to identify suitable candidates for in vivo efficacy evaluation. The best ligands inhibited Plasmodium falciparum (Pf) and Arabidopsis thaliana (At) SHMT in target assays and PfNF54 strains in cell-based assays with values in the low nanomolar range (3.2-55 nM). A set of carboxylate derivatives demonstrated markedly improved in vitro metabolic stability (t_1/2 > 2 h). A selected ligand showed significant in vivo efficacy with 73% of parasitemia reduction in a mouse model. Five new cocrystal structures with PvSHMT were solved at 2.3-2.6 Å resolution, revealing a unique water-mediated interaction with Tyr63 at the end of the para-aminobenzoate channel. They also displayed the high degree of conformational flexibility of the Cys364-loop lining this channel.

Journal of Medicinal Chemistry published new progress about 596819-12-4. 596819-12-4 belongs to ethers-buliding-blocks, auxiliary class Thiophene,Boronic acid and ester,Ether,Boronate Esters,Boronic acid and ester, name is 2-(5-Methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C12H10F2Si, Quality Control of 596819-12-4.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Molander, Gary A. published the artcileAccessing Molecularly Complex Azaborines: Palladium-Catalyzed Suzuki-Miyaura Cross-Couplings of Brominated 2,1-Borazaronaphthalenes and Potassium Organotrifluoroborates, Product Details of C8H11BO3, the publication is Journal of Organic Chemistry (2014), 79(14), 6663-6678, database is CAplus and MEDLINE.

Despite their potential applications in both medicinal chem. and materials science, there have been limited reports on the functionalization of 2,1-borazaronaphthalenes since their discovery in 1959. To access new chem. space and build mol. complexity, the Suzuki-Miyaura cross-coupling of brominated 2,1-borazaronaphthalenes has been investigated. The palladium-catalyzed cross-coupling proceeds with an array of potassium (hetero)aryltrifluoroborates in high yield with low catalyst loadings under mild reaction conditions. By the use of a high-yielding bromination of various 2,1-borazaronaphthalenes to generate electrophilic azaborine species, a library of 3-(hetero)aryl and 3,6-diaryl-2,1-borazaronaphthalenes has been synthesized.

Journal of Organic Chemistry published new progress about 725251-81-0. 725251-81-0 belongs to ethers-buliding-blocks, auxiliary class Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is (3-Methoxy-5-methylphenyl)boronic acid, and the molecular formula is C8H11BO3, Product Details of C8H11BO3.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem