Month: December 2022

Sun, Yuwen published the artcileDetermination of phenolic compounds in beverages by three-flow channel isocratic HPLC with electrochemical detections using a column-switching technique, Name: Propyl 3,4,5-trihydroxybenzoate, the publication is Chemical & Pharmaceutical Bulletin (2022), 70(1), 43-49, database is CAplus.

For the quant. anal. of phenolic compounds in beverage samples, a three-flow channel isocratic HPLC with electrochem. detection (3LC-ECD) system was devised using a column-switching technique. Phenolic compounds with significantly different hydrophobicity (the range of calculated log P: -0.77 to 3.02) were simultaneously measured to draw three chromatograms by the 3LC-ECD; the peaks of gallic acid (GA), protocatechuic acid (PCA), and gallocatechin (GC) were observed at electrochem. detector 1 (D1) within 42 min, the peaks of procyanidin B3 (B3), epigallocatechin (EGC), catechin (C), epicatechin (EC), procyanidin B2 (B2), Et gallate (Eg), and epigallocatechin gallate (EGCg) were observed at D2 within 50 min, and the peaks of epicatechin gallate (ECg), gallocatechin gallate (GCg), catechin gallate (Cg), Pr gallate (Pg), and resveratrol (RVT) were observed at D3 within 70 min. The relationships between the phenolic compound concentrations and their chromatog. peak heights gave good linearity with correlation coefficients of more than 0.998. The detection limits of the phenolic compounds by the 3LC-ECD ranged from 0.6 to 3.0μg/L. Further, the phenolic compound concentrations of com. available teas and wines were determined with a relative standard deviation (RSD) of less than 4.9% (n = 6), and their recoveries ranged from 91 to 109%. These results indicate that the 3LC-ECD system provided an accurate, precise, and specific determination of the phenolic compounds in beverages without affecting the matrixes derived from these samples.

Chemical & Pharmaceutical Bulletin published new progress about 121-79-9. 121-79-9 belongs to esters-buliding-blocks, auxiliary class Natural product, name is Propyl 3,4,5-trihydroxybenzoate, and the molecular formula is C15H23BO2, Name: Propyl 3,4,5-trihydroxybenzoate.

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

Tsukamoto, Issei published the artcileOptimization of (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine-5-ylidene)acetamide derivatives as arginine vasopressin V₂ receptor agonists and discussion of their binding modes, Name: Methyl 4-fluoro-2-(trifluoromethyl)benzoate, the publication is Bioorganic & Medicinal Chemistry (2009), 17(24), 8161-8167, database is CAplus and MEDLINE.

A series of (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine-5-ylidene)acetamide derivatives were optimized to achieve potent agonistic activity, both in vitro and in vivo, for the arginine vasopressin V₂ receptor, resulting in the eventual discovery of compound 1g. Mol. modeling of compound 1g with V₂ receptor was also examined to evaluate the binding mode of this series of compounds

Bioorganic & Medicinal Chemistry published new progress about 220141-23-1. 220141-23-1 belongs to esters-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Benzene,Ester, name is Methyl 4-fluoro-2-(trifluoromethyl)benzoate, and the molecular formula is C7H13BrSi, Name: Methyl 4-fluoro-2-(trifluoromethyl)benzoate.

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

Petrus, Josef published the artcileSolid-state hydroxylation of polypropylene, Recommanded Product: Tris(2,4-di-tert-butylphenyl) phosphite, the publication is Materials Today Communications (2022), 103428, database is CAplus.

The solid-state hydroxylation of polypropylene (PP) in water solution was investigated as a simple and attractive way for the surface hydroxylation of PP. The functionalization was initiated by potassium persulfate (K₂S₂O₈) under inert atm. The effect of various reaction parameters and surfactants on the concentration of -OH group bonded on PP backbone ([OH]_PP) and the extent of collateral reactions was discussed. The increase of [OH]_PP with the increase of initial concentration of K₂S₂O₈ ([K₂S₂O₈]₀) was proved by Fourier transform IR spectroscopy (FTIR) and XPS. β-scission and oxidative degradation of PP was detected with respect to the change of rheol. behavior, differential scanning calorimetry (DSC) and FTIR. On the other hand, inverse collateral reaction leading to the increase of molar mass were evidenced at prolonged reaction period. Surface hydroxylation was detected mainly in the amorphous phase, however at prolonged reaction period the reaction occurred even in the crystalline phase.

Materials Today Communications 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, Recommanded Product: Tris(2,4-di-tert-butylphenyl) phosphite.

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

Chi, Ki Whan published the artcileA substituent effect on the palladium(II) catalyzed [3,3]-sigmatropic rearrangement of allylic esters, Safety of 3-Methylbut-2-en-1-yl benzoate, the publication is Bulletin of the Korean Chemical Society (1994), 15(2), 98-100, database is CAplus.

To a solution of I( X=p-MeO,p-Me,p-Cl,m-CF₃,p-NO₂, etc.) in THF at 25° was added bis(acetonitrile)palladium(II) chloride catalysts to yield II(X as above) in more than 97% GC yield. Pseudo-first-order rate constants(k_p) were obtained by least-square method from the slope of substrate concentration vs. time; the second-order rate constants(k₂) were then calculated from a division of k_p by the concentration of catalysts. A Hammett plot of k₂ vs. σ shows a good linear correlation (s=0.977) and retardation of the reaction rate is directly proportional to the strength of electron-withdrawing ability of the substituents (ρ= -1.05). A cyclization-induced mechanism was postulated. Since the rate decreases proportional to σ, the rate-determining step is the second step in which the pos.-charged intermediate is produced,. The small absolute value of ρ is attributed to the delocalization of pos. charge over the neighboring oxygen atoms in the transition state.

Bulletin of the Korean Chemical Society published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C12H14O2, Safety of 3-Methylbut-2-en-1-yl benzoate.

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

Grichanov, I. Ya. published the artcileTrapping of Chrysodeixis chalcites, Trichoplusia ni and Autographa gamma (Lepidoptera, Noctuidae, Plusiinae) with a synthetic sex attractant, Application In Synthesis of 16974-11-1, the publication is Izvestiya Akademii Nauk Tadzhikskoi SSR, Otdelenie Biologicheskikh Nauk (1989), 64-7, database is CAplus.

Antipheromone cis-9-dodecenyl acetate (I) completely suppressed attraction of T. ni and A. gamma by cis-7-dodecenyl acetate (II). However, I–II strongly attracted C. chalcites. The attractiveness of I + II + cis-9-tetradecenyl acetate equaled or exceeded the attractions of I–II for C. chalcites.

Izvestiya Akademii Nauk Tadzhikskoi SSR, Otdelenie Biologicheskikh Nauk 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 C14H26O2, Application In Synthesis of 16974-11-1.

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

Schulte, Bianca published the artcileAndrographolide Derivatives Target the KEAP1/NRF2 Axis and Possess Potent Anti-SARS-CoV-2 Activity, SDS of cas: 624-49-7, the publication is ChemMedChem (2022), 17(5), e202100732, database is CAplus and MEDLINE.

Naturally occurring compounds represent a vast pool of pharmacol. active entities. One of such compounds is andrographolide, which is endowed with many beneficial properties, including the activity against SARS-CoV-2. To initiate a drug repurposing or hit optimization campaign, it is imperative to unravel the primary mechanism(s) of the antiviral action of andrographolide. We showed by means of a reporter gene assay that andrographolide exerts its anti-SARS-CoV-2 effects by inhibiting the interaction between Kelch-like ECH-associated protein 1 (KEAP1) and nuclear factor erythroid 2-related factor 2 (NRF2) causing NRF2 upregulation. Moreover, we demonstrated that subtle structural modifications of andrographolide could lead to derivatives with stronger on-target activities and improved physicochem. properties. Our results indicate that further optimization of this structural class is warranted to develop novel COVID-19 therapies.

ChemMedChem 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 C14H10O4, SDS of cas: 624-49-7.

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

Wang, Mengdan published the artcileSequential C-C σ-Bond Cleavage/(sp²) C-O Bond Formation via C-H Functionalization toward Pyranoindolones Fused with Medium-Sized Rings, Recommanded Product: 3-Acetyldihydrofuran-2(3H)-one, the publication is Organic Letters (2018), 20(19), 6130-6134, database is CAplus and MEDLINE.

An atom-economical procedure for the synthesis of pyranoindolones fused with 7- or 8-membered rings has been developed. This process is realized through the sequential Cs₂CO₃-promoted C-C σ-bond cleavage of cyclic ketoesters and a ZnI₂-mediated selective C-H/O-H coupling reaction. Two of the C-C σ-bonds are cleaved and one of the sp² C-H bonds is functionalized during the reaction process. Easily accessible starting materials and broad substrate scope make this protocol attractive in synthetic organic chem.

Organic Letters published new progress about 517-23-7. 517-23-7 belongs to esters-buliding-blocks, auxiliary class Tetrahydrofuran,Ketone,Ester, name is 3-Acetyldihydrofuran-2(3H)-one, and the molecular formula is C10H9NO4S, Recommanded Product: 3-Acetyldihydrofuran-2(3H)-one.

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

Liu, Ying published the artcileEnhanced photocatalytic activity over flower-like sphere Ag/Ag₂CO₃/BiVO₄ plasmonic heterojunction photocatalyst for tetracycline degradation, HPLC of Formula: 1877-71-0, the publication is Chemical Engineering Journal (Amsterdam, Netherlands) (2018), 242-254, database is CAplus.

A novel ternary Ag/Ag₂CO₃/BiVO₄ plasmonic heterojunction photocatalyst was successfully fabricated by a precipitation method over BiVO₄, followed by light reduction The obtained composites were characterized by various measurements and the photocatalytic performances of the as-prepared composites were assessed by the degradation of tetracycline (TC) under visible-light illumination. The ternary plasmonic heterojunction photocatalyst exhibits higher and wider absorption in the visible and UV regions than the pure BiVO₄ and it displays superior performance in the degradation of tetracycline. The highest efficiency of Ag/Ag₂CO₃/BiVO₄ photocatalyst to degrade TC is up to 94.9% at 150 min. On the basis of the obtained exptl. results, the probable photocatalytic mechanism of the enhanced activity is discussed. The degradation of tetracycline is not only influenced by ^·OH, but also caused by valence-band holes (h⁺). Therefore, the improved photocatalytic activity of Ag/Ag₂CO₃/BiVO₄ is due to the enhanced absorbance under the visible light, the facilitated charge transfer and the inhibited recombination of electron-hole pairs. The likely degradation pathway was proposed on the basis of the intermediate products detected by GC-MS. Moreover, the surface plasmon resonance and the elec. field enhancement were simulated by the three dimensional finite difference time domain (FDTD) method.

Chemical Engineering Journal (Amsterdam, Netherlands) 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, HPLC of Formula: 1877-71-0.

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

Tsukamoto, Hirokazu published the artcilePalladium(II)-Catalyzed Annulation of Alkynes with ortho-Ester-Containing Phenylboronic Acids, COA of Formula: C15H21BO4, the publication is Organic Letters (2007), 9(21), 4227-4230, database is CAplus and MEDLINE.

Palladium(II) catalyzes annulation of internal alkynes with Me 2-boronobenzoate and (2-boronophenyl)acetate to provide 2,3-disubstituted indenones and 3,4-disubstituted 2-naphthols, resp. E.g., [1,2-bis(diphenylphosphino)ethane]palladium(II) ditrifluoroacetate catalyzed the reaction of 2-methoxycarbonylphenylboronic acid with bis(4-methoxyphenyl)acetylene to give 98% indenone I. The annulation reaction would proceed through transmetalation of Pd(II) with the boron reagents and insertion of the alkynes, followed by unprecedented 1,2-addition of the generated alkenylpalladium(II) species to the intramol. ester group.

Organic Letters published new progress about 956229-86-0. 956229-86-0 belongs to esters-buliding-blocks, auxiliary class Boronic acid and ester,Benzene,Ester,Boronate Esters,Boronic acid and ester, name is Methyl 2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate, and the molecular formula is C20H17FO4S, COA of Formula: C15H21BO4.

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

Brahemi, Ghali published the artcileExploring the Structural Requirements for Inhibition of the Ubiquitin E3 Ligase Breast Cancer Associated Protein 2 (BCA2) as a Treatment for Breast Cancer, Computed Properties of 3052-61-7, the publication is Journal of Medicinal Chemistry (2010), 53(7), 2757-2765, database is CAplus and MEDLINE.

The zinc-ejecting aldehyde dehydrogenase (ALDH) inhibitory drug disulfiram (DSF) was a breast cancer-associated protein 2 (BCA2) inhibitor with potent antitumor activity. We herein describe our work in the synthesis and evaluation of new series of zinc-affinic mols. to explore the structural requirements for selective BCA2-inhibitory antitumor activity. An N(C=S)S-S motif was required, based on selective activity in BCA2-expressing breast cancer cell lines and against recombinant BCA2 protein. Notably, the DSF analogs (3a and 3c) and dithio(peroxo)thioate compounds (5d and 5f) were found to have potent activity (submicromolar IC₅₀) in BCA2 pos. MCF-7 and T47D cells but were inactive (IC₅₀ > 10 μM) in BCA2 neg. MDA-MB-231 breast cancer cells and the normal breast epithelial cell line MCF10A. Testing in the isogenic BCA2 +ve MDA-MB-231/ER cell line restored antitumor activity for compounds that were inactive in the BCA2 -ve MDA-MB-231 cell line. In contrast, structurally related dithiocarbamates and benzisothiazolones (lacking the disulfide bond) were all inactive. Compounds 5d and 5f were addnl. found to lack ALDH-inhibitory activity, suggestive of selective E3 ligase-inhibitory activity and worthy of further development.

Journal of Medicinal Chemistry published new progress about 3052-61-7. 3052-61-7 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Amide, name is Benzyl diethylcarbamodithioate, and the molecular formula is C12H17NS2, Computed Properties of 3052-61-7.

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