Month: December 2022

Larsen, Matthew A. published the artcileA Modular and Diastereoselective 5 + 1 Cyclization Approach to N-(Hetero)Aryl Piperidines, HPLC of Formula: 517-23-7, the publication is Journal of the American Chemical Society (2020), 142(2), 726-732, database is CAplus and MEDLINE.

A new general de novo synthesis of pharmaceutically important N-(hetero)aryl piperidines is reported. This protocol uses a robustly diastereoselective reductive amination/aza-Michael reaction sequence to achieve rapid construction of complex polysubstituted ring systems starting from widely available heterocyclic amine nucleophiles and carbonyl electrophiles. Notably, the diastereoselectivity of this process is enhanced by the presence of water, and DFT calculations support a stereochem. model involving a facially selective protonation of a water-coordinated enol intermediate.

Journal of the American Chemical Society 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 C6H8O3, HPLC of Formula: 517-23-7.

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

Sjoholm, Asa published the artcileInvestigation of the Lewis acid mediated stereoselective cyclization of cationic aminyl radicals leading to substituted pyrrolidines, Formula: C8H16O2, the publication is Journal of the Chemical Society, Perkin Transactions 1 (2001), 891-899, database is CAplus.

Stereoselective Lewis acid mediated radical cyclizations of variously substituted N-chloropentenylamines afforded the corresponding pyrrolidines with good to excellent diastereoselectivities and in high yields. Several Lewis acids have been screened in an attempt to find an efficient and stereoselective protocol for the formation of pyrrolidines; no apparent correlation between the different Lewis acids and the selectivities obtained was observed

Journal of the Chemical Society, Perkin Transactions 1 published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C16H24BF4Ir, Formula: C8H16O2.

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

Abedi, Abdol-Samad published the artcileApplication of thermal ultrasound-assisted liquid-liquid micro-extraction coupled with HPLC-UV for rapid determination of synthetic phenolic antioxidants in edible oils, Application In Synthesis of 121-79-9, the publication is Journal of the American Oil Chemists’ Society (2021), 98(10), 969-978, database is CAplus.

A simple, fast, and reliable liquid-liquid micro-extraction (LLME) method assisted by thermal ultrasound approach was developed for simultaneous determination of synthetic phenolic antioxidants (SPAs) in edible oils by high-performance liquid chromatog. equipped with UV detector (HPLC-UV). The synthetic antioxidants were Pr gallate (PG), butylated hydroxyanisole (BHA), tert-butylhydroquinone (TBHQ), and butylated hydroxyltoluene (BHT). The best extraction conditions were observed were methanol/acetonitrile (1:1, volume/volume) as the solvent, ultrasound at 4 min, and a temperature of 40°C. The linearity of the calibration curves for the optimum conditions were R² > 0.989 for all of the SPAs in a range from 1-200μ g ml^-1. Relative standard deviation (RSD%) for five anal. was in range of 2.83% to 4.21%. Limit of detection (LOD) and limit of quantification (LOQ) were obtained in range of 0.012-0.06 and 0.04-0.2μ g g^-1, resp. With regard to recovery, a range of 91%-116% was calculated for the spiked edible oils.

Journal of the American Oil Chemists’ Society 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 C10H12O5, Application In Synthesis of 121-79-9.

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

Alves Avelar, Leandro A. published the artcileDesign and Synthesis of Novel Anti-Plasmodial Histone Deacetylase Inhibitors Containing an Alkoxyamide Connecting Unit, Quality Control of 1877-71-0, the publication is Archiv der Pharmazie (Weinheim, Germany) (2017), 350(3-4), n/a, database is CAplus and MEDLINE.

Despite recent declines in mortality, malaria remains an important global health problem. New therapies are needed, including new drugs with novel modes of action compared to existing agents. Among new potential therapeutic targets for malaria, inhibition of parasitic histone deacetylases (HDACs) is a promising approach. Homol. modeling of PfHDAC1, a known target of some anti-plasmodial HDAC inhibitors, revealed a unique threonine residue at the rim of the active site in close proximity to the location of the cap group of vorinostat-type HDAC inhibitors. Aiming to obtain HDAC inhibitors with potent and preferential anti-plasmodial activity, the authors synthesized a mini-library of alkoxyamide-based HDAC inhibitors containing hydrogen bond acceptors in the cap group. Using a 5-step synthetic route, 12 new inhibitors were synthesized and assayed against Plasmodium falciparum asexual blood stage parasites (clones 3D7 and Dd2) and human cells (HepG2). The most active compound 6h (6-[(1-Benzothiophen-2-ylformamido)oxy]-N-hydroxyhexanamide) (Pf3D7 IC₅₀: 0.07 μM; PfDd2 IC₅₀: 0.07 μM) was 25-fold more toxic against the parasite vs. human HepG2 cells. Selected compounds were shown to cause hyperacetylation of P. falciparum histone H4, indicating inhibition of one or more PfHDACs.

Archiv der Pharmazie (Weinheim, Germany) 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, Quality Control of 1877-71-0.

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

Brannigan, Ruairi P. published the artcileSynthesis of mechanically robust renewable poly(ester-amide)s through co-polymerisation of unsaturated polyesters and synthetic polypeptides, Safety of Dimethyl itaconate, the publication is European Polymer Journal (2020), 109417, database is CAplus.

As an alternative to polyester-based materials, synthetic polypeptides have received a great deal of attention as bio-derived polymers for various applications. Polypeptide-based materials offer numerous advantages over traditional polyesters such as efficient and complete bio- and ecol. absorption, however, poor mech. robustness and low processability has prevented the com. application of polypeptides. Conversely, copolymers of polyesters and polypeptides have the potential to combine the mech. versatility of aliphatic polyesters while retaining the enhanced bio-absorption of polypeptides. Itaconic acid-based polyesters were crosslinked with modified telechelic poly(L-aspartic acid β-benzyl ester) and the amino acid-derived 2-vinyl-4,4-dimethylazlactone in order to assess their effect on their bulk materials properties. It was found that through variance of the polymer composition that the mech. properties and the hydrolytic degradation of the materials could be modulated. We believe that these crosslinked polymers offer a unique platform for the development of sustainable degradable materials.

European Polymer Journal 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, Safety of Dimethyl itaconate.

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

Ghazy, Ehab published the artcileSynthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis, Recommanded Product: 3-(Methoxycarbonyl)benzoic acid, the publication is European Journal of Medicinal Chemistry (2021), 113745, database is CAplus and MEDLINE.

In this study, the previously reported benzhydroxamate-based inhibitors I, II [X = H, chloro, methoxy, etc;R = 4-biphenyl, 3-benzyloxyphenyl, 4-propoxyphenyl, etc.] of Schistosoma mansoni histone deacetylase 8 (smHDAC8) were chem. optimized. Crystallog. anal. provided insights into the inhibition mode of smHDAC8 activity by the highly potent inhibitor I[X = methoxy;R = 4-Dibenzofuranyl]. Structure-based optimization of the novel inhibitors was carried out using the available crystal structures as well as docking studies on smHDAC8. The compounds were evaluated in screens for inhibitory activity against schistosome and human HDACs (hHDAC). The in vitro and docking results were used for detailed structure activity relationships. The synthesized compounds were further investigated for their lethality against the schistosome larval stage using a fluorescence-based assay. The most promising inhibitor I[X = methoxy;R = 4-Dibenzofuranyl] showed significant dose-dependent killing of the schistosome larvae and markedly impaired egg laying of adult worm pairs maintained in culture.

European 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 C9H8O4, Recommanded Product: 3-(Methoxycarbonyl)benzoic acid.

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

Boeve, Jean-Luc published the artcileSecretion of the ventral glands in Craesus sawfly larvae, HPLC of Formula: 110-34-9, the publication is Biochemical Systematics and Ecology (2008), 36(11), 836-841, database is CAplus.

The secretion from ventral glands of Craesus alniastri, Craesus septentrionalis, and Craesus latipes (Hymenoptera, Tenthredinidae, Nematinae) was analyzed by GC-MS. The terpenoid dolichodial was the major compound in the 3 species. A few other terpenoids, several hydrocarbons, esters, aldehydes, and the aromatic compound benzaldehyde were also detected. Among the Nematinae the occurrence of dolichodial is restricted to Craesus and several species of the closely related genus Nematus. Craesus comprises ∼20 species. Their larvae are generally gregarious and brightly colored, and they possess highly developed ventral glands. Field tests show that the gregarious habit of C. septentrionalis larvae is an active process. This manuscript covers the chemotaxonomy, biosynthesis, and bioactivity of dolichodial, and the interactions between glandular secretion and appearance of larvae.

Biochemical Systematics and Ecology 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, HPLC of Formula: 110-34-9.

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

Choudhary, A. published the artcileCorrelation analysis of reactivity in the oxidation of substituted benzaldehydes by quinolinium chlorochro mate: a kinetic approach, SDS of cas: 1877-71-0, the publication is International Journal of Chemistry (Mumbai, India) (2016), 5(2), 189-200, database is CAplus.

Oxidation of thirty six mo nosubsti tuted benzaldehydes by quinolinium chlorochromate (QCC) in dimethylsulfoxide (DMSO), leads to the formation of corresponding benzoic acids. The reaction is of first order with respect to QCC. A Michaelis-Menten type kinetics was observed with respect to the reactants. The reaction is promoted by hydrogen ions; the hydrogen ion dependence has the form k_obs = a + b[H⁺]. The oxidation of benzaldehyde (PhCDO) exhibited a substantial primary kinetic isotope effect. The reaction was studied in nineteen different organic solvents and the efiect of solvent was analyzed using Taft’s and Swain’s main-parametric equations. The rates of the oxidation of para and meta substituted benzaldehydes showed excellent correlation in terms of Charton’s triparametric LDR equation, whereas the oxidation of ortho-substi tu ted benzaldehydes were correlated well with tetraperametric LDRS equation. The oxidation of para-substituted benzaldehydes is more susceptible to the delocalized effect than the oxidation of ortho- and meta-substituted compounds, which display a greater dependence on the field effect. The pos. value of h suggests the presence of an electron-deficient reaction center in the rate-determining step. The reaction is subjected to steric acceleration by the ortho-substituents. A suitable mechanism has been proposed.

International Journal of Chemistry (Mumbai, India) 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, SDS of cas: 1877-71-0.

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

Wannenmacher, Nick published the artcileDiastereospecific Enantiodivergent Allylation of Pyrazolones as an Entry to β-Aminoamides, Category: esters-buliding-blocks, the publication is Advanced Synthesis & Catalysis, database is CAplus.

A diastereospecific enantiodivergent allylation of pyrazolones I (R¹ = n-Pr, H₂C:CHCH₂, PhCH₂, etc.; R² = Me, i-Pr, Ph; R³ = Ph, PhCH₂, 4-MeOC₆H₄) with allyl imidates R⁴CH:CHCH₂OC(:NH)CCl₃ (R⁴ = Me, n-Pr, PhCH₂CH₂, MeO₂CCH₂CH₂, PhCH₂OCH₂CH₂), catalyzed by a planar chiral pentaphenylferrocene-based palladacycle, is reported. With the same catalyst, both enantiomeric products II were selectively available from (E)- or (Z)-allyl imidates. The method is applicable to structurally diverse substrates and gave products II with 85-94% enantiomeric excesses. In addition, pyrazolone (S,E)-II (R¹ = 4-FC₆H₄CH₂; R² = Me; R³ = Ph; R⁴ = PhCH₂CH₂) was transformed into acyclic β-aminoamide.

Advanced Synthesis & Catalysis 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 C13H18BNO3, Category: esters-buliding-blocks.

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

Conway, Sarah E. published the artcileCOVID-19 severity is associated with worsened neurological outcomes in multiple sclerosis and related disorders, Product Details of C6H8O4, the publication is Multiple Sclerosis and Related Disorders (2022), 103946, database is CAplus and MEDLINE.

Neurol. outcomes in patients with multiple sclerosis (MS) and related disorders (MSRD) following COVID-19 is not well understood. The objective of this study was to investigate neurol. outcomes in patients with MSRD post-COVID-19. This was a retrospective medical records review study of adult patients with MSRD and COVID-19 infection at the Brigham MS Center. Neurol. worsening post-COVID-19 was defined as having a relapse, pseudorelapse, new brain MRI activity, worsening of preexisting MSRD symptoms, or development of other long-term neurol. symptoms.111 patients, 85 (76.6%) females, with a mean [SD] age of 49.3 [12.2] years and median [range] EDSS of 2.5 [0, 8.5] were identified. 41 patients (36.9%) had neurol. worsening post-COVID-19. Of those, 19 (46.3%) had pseudorelapses, 2 (4.8%) had relapses, and 24 (58.5%) patients reported worsening of preexisting MSRD symptoms, or other new long-term neurol. symptoms. Neurol. worsening was associated with hospitalized (moderate or severe) COVID-19 (p = 0.001), treatment for COVID-19 (p = 0.006), and incomplete COVID-19 recovery (p = 0.0267) but not with age, sex, MS type, race, disease duration, EDSS, vitamin D use, or disease modifying therapy use. COVID-19 severity and lack of complete systemic recovery were associated with new or worsening neurol. symptoms in 36.9% of MSRD patients.

Multiple Sclerosis and Related Disorders 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, Product Details of C6H8O4.

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