Month: October 2022

Kadnikov, Dmitry V.; Larock, Richard C. published the artcile< Applications of the palladium-catalyzed carbonylative annulation of internal alkynes to the synthesis of medium-sized rings>, Product Details of C19H34O2, the main research area is lactone medium sized preparation; lactam medium sized preparation; internal alkyne iodo alc carbonylative annulation.

Seven- and eight-membered ring lactones were synthesized by the palladium-catalyzed carbonylative annulation of internal alkynes with iodoaryl alcs., and scope and limitations of the process were examined

Mendeleev Communications published new progress about Alcohols, halo Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Qin, Yu; Tang, You-Yi; Cai, Min; Liu, Xu published the artcile< Chemical Composition, Antibacterial and Antioxidant Activities of the Essential Oil of Justicia procumbens>, Computed Properties of 112-63-0, the main research area is Justicia essential oil chem composition antibacterial antioxidant activity.

Justicia procumbens L., an annual plant belonging to the Acanthaceae family, has been used for treating fever, pharyngolaryngeal pain, and cancer as a valuable traditional Chinese medicine. Since no research has until now been done on the constituents and pharmacol. activities of the essential oil obtained from the aerial parts of J. procumbens (JPEO), the aim of this study is to identify the composition of JPEO and evaluate its antibacterial and antioxidant activities. The essential oil was extracted from the plant samples by hydrodistillation for 3.5 h using a Clevenger apparatus The GC/MS anal. indicated that the J. procumbens essential oil contained 47 constituents representing 95.7% of the total content . DPPH, ABTS, and FRAP tests were applied to determine the antioxidant activity of the essential oil. The essential oil of J. procumbens possessed moderate ABTS scavenging activity and weak DPPH radical scavenging activity with IC 50 values of 0.141 ± 0.018 mg/mL and 0.522 ± 0.046 mg/mL, resp. In the FRAP assay, the ferric ion reducing capacity of the essential oil was determined to be 61.26 ± 3.35 μ mol Trolox x g-1 EO.

Chemistry of Natural Compounds published new progress about Antibacterial agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Jin, Yue; Liu, Huiling; Yang, Meihua; Chen, Jianmin published the artcile< Adaptability of hplc method to determination of aflatoxins content in traditional chinese medicine>, Formula: C19H34O2, the main research area is aflatoxin determination HPLC Chinese medicine.

The HPLC for determining the content of aflatoxins in traditional Chinese medicine was presented. Two affinity chromatog. columns: AflaTest P and EASI-Extract AFLATOXIN and three common columns: LiChrospher100 RP-18e column, phenomenex Luna C18 column, and phenomenex Luna Phenyl-Hexyl column were used and compared. The pyridinium bromide perbromide solution was used as derivatizing agent. The loads for both affinity chromatog. columns were sufficient for determination of aflatoxins content in traditional Chinese medicine based on the “”green trade standards of importing and exporting medicinal plants and preparations”” (WM2-2001). Based on the results of reproducibility tests on the resolution and peak area, the three common columns were suitable for IAC purification and post-column derivatization HPLC of determining aflatoxins content in traditional Chinese medicine.

Zhongguo Zhongyao Zazhi published new progress about Aflatoxins Role: ADV (Adverse Effect, Including Toxicity), ANT (Analyte), BIOL (Biological Study), ANST (Analytical Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Martyn, Derek C.; Abell, Andrew D. published the artcile< The Synthesis and Testing of α-(Hydroxymethyl)pyrroles as DNA Binding Agents>, Synthetic Route of 7126-50-3, the main research area is DNA binding hydroxymethyl pyrrole preparation.

α-(Hydroxymethyl)pyrroles were prepared and shown to be cytotoxic against the P388 cancer cell line. Et 5-hydroxymethyl-1H-pyrrole-2-carboxylate was inactive, demonstrating that an α-(hydroxymethyl)pyrrole group alone is not sufficient for activity. Compound I has been shown to bind to DNA with reasonable affinity.

Australian Journal of Chemistry published new progress about DNA Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 7126-50-3 belongs to class esters-buliding-blocks, and the molecular formula is C8H9NO3, Synthetic Route of 7126-50-3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Gao, Xinyue; Shi, Xiaoqing; Yang, Dianna; Jin, Hao; Zhou, Xinghua; Meng, Tianzi; Li, Xin; Jia, Zixing; Zhang, Xuewen; Wu, Zeyu; Wang, Chunnong; Zeng, Taining; Liu, Li; Ai, Chao; Zhu, Huajie published the artcile< Highly efficient axially biscarboline ethers as catalysts used in 1,2- and 1,4-transfer hydrogenations of ketimines and β-enamino esters>, Formula: C11H12O3, the main research area is arylaminopropenoate enantioselective transfer hydrogenation axial chiral catalyst; arylaminopropanoate ethyl stereoselective preparation; ketimine axial chiral catalyst enantioselective transfer hydrogenation; phenylalkylaniline stereoselective preparation.

A series of new axial chiral biscarboline ethers were synthesized using L-tryptophan amino acid after dehydrogenation and oxidations using m-CPBA. These diastereoisomers can be obtained by column chromatog. and used as catalysts in asym. hydrogenation reactions of β-enamine esters and ketimines. Chiral catalysts (R)- and (S)-I exhibited very high enantioselectivity in the reactions. For example, a high up to 98% ee was achieved in the enantioselective hydrogenations when only 1 mol% of catalyst was used.

Journal of Molecular Structure published new progress about Amino acid esters Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 94-02-0 belongs to class esters-buliding-blocks, and the molecular formula is C11H12O3, Formula: C11H12O3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Zhang, Sha; Jiang, Mingchen; Yan, Shuxia; Liang, Miaomiao; Wang, Wei; Yuan, Bin; Xu, Qiuyue published the artcile< Network pharmacology-based, experimental identification of the effects of paeoniflorin on major depressive disorder>, Application of C19H34O2, the main research area is major depressive disorder paeoniflorin; experimental verification; major depressive disorder; network pharmacology; paeoniflorin; treatment targets.

Major depressive disorder (MDD) is one of the most common psychiatric disorders, the diagnosis, treatment of MDD are major clin. issues. However, there is a lack of effective biomarkers, drugs diagnosis, therapeutics of MDD. In the present study, bioinformatics anal. combined with an exptl. verification strategy was used to identify biomarkers, paeoniflorin targets for MDD diagnosis, treatment. Based on network pharmacol., we obtained potential targets, pathways of paeoniflorin as an antidepressant through multiple databases. We then constructed a protein-protein interaction network, performed enrichment analyses. According to the results, we performed in vivo, in vitro exptl. validation. The results showed that paeoniflorin may exert an antidepressant effect by regulating cell inflammation, synaptic function, NF-κB signaling pathway, intestinal inflammation. NPM1, HSPA8, HSPA5, HNRNPU, TNF are the targets of paeoniflorin treatment. In addition, we demonstrated that paeoniflorin inhibits inflammatory cytokine production via the p38MAPK/NF-κB pathway, has neuroprotective effects on the synaptic structure. Our findings provide valuable evidence for the diagnosis, treatment of MDD.

Frontiers in Pharmacology published new progress about Antidepressants. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Eduful, Benjamin J.; O’Byrne, Sean N.; Temme, Louisa; Asquith, Christopher R. M.; Liang, Yi; Picado, Alfredo; Pilotte, Joseph R.; Hossain, Mohammad Anwar; Wells, Carrow I.; Zuercher, William J.; Catta-Preta, Carolina M. C.; Zonzini Ramos, Priscila; Santiago, Andre de S.; Counago, Rafael M.; Langendorf, Christopher G.; Nay, Kevin; Oakhill, Jonathan S.; Pulliam, Thomas L.; Lin, Chenchu; Awad, Dominik; Willson, Timothy M.; Frigo, Daniel E.; Scott, John W.; Drewry, David H. published the artcile< Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes>, HPLC of Formula: 623-50-7 , the main research area is CAMKK2 inhibitor chemotype probe signaling.

CAMKK2 is a serine/threonine kinase and an activator of AMPK whose dysregulation is linked with multiple diseases. Unfortunately, STO-609, the tool inhibitor commonly used to probe CAMKK2 signaling, has limitations. To identify promising scaffolds as starting points for the development of high-quality CAMKK2 chem. probes, we utilized a hinge-binding scaffold hopping strategy to design new CAMKK2 inhibitors. Starting from the potent but promiscuous disubstituted 7-azaindole GSK650934, a total of 32 compounds, composed of single-ring, 5,6-, and 6,6-fused heteroaromatic cores, were synthesized. The compound set was specifically designed to probe interactions with the kinase hinge-binding residues. Compared to GSK650394 and STO-609, 13 compounds displayed similar or better CAMKK2 inhibitory potency in vitro, while compounds 13g and 45 had improved selectivity for CAMKK2 across the kinome. Our systematic survey of hinge-binding chemotypes identified several potent and selective inhibitors of CAMKK2 to serve as starting points for medicinal chem. programs.

Journal of Medicinal Chemistry published new progress about Crystal structure. 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, HPLC of Formula: 623-50-7 .

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lloyd, David G.; Hughes, Rosario B.; Zisterer, Daniela M.; Williams, D. Clive; Fattorusso, Caterina; Catalanotti, Bruno; Campiani, Giuseppe; Meegan, Mary J. published the artcile< Benzoxepin-Derived Estrogen Receptor Modulators: A Novel Molecular Scaffold for the Estrogen Receptor>, SDS of cas: 112-63-0, the main research area is benzoxepin derivative estrogen receptor modulator antitumor breast cancer.

The authors present and examine the efficacy of a novel benzoxepin-based scaffold for modulation of the human estrogen receptor. Receptor tolerance of this new mol. scaffold is examined through presentation of exptl. determined antiproliferative effects on human MCF-7 breast tumor cells and measured binding affinities. The effect of functional group substitution on the benzoxepin scaffold is explored through a brief computational structure-activity relationship investigation with mol. simulation.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

He, Chunxian; Preiss, Laura; Wang, Bin; Fu, Lei; Wen, Hui; Zhang, Xiang; Cui, Huaqing; Meier, Thomas; Yin, Dali published the artcile< Structural Simplification of Bedaquiline: the Discovery of 3-(4-(N,N-Dimethylaminomethyl)phenyl)quinoline-Derived Antitubercular Lead Compounds>, Category: esters-buliding-blocks, the main research area is quinoline dimethylaminomethyl phenyl preparation antitubercular activity; ATP synthase; Mycobacterium tuberculosis; bedaquiline; multidrug resistance; pulmonary tuberculosis.

Bedaquiline (BDQ) is a novel and highly potent last-line antituberculosis drug that was approved by the US FDA in 2013. Owing to its stereo-structural complexity, chem. synthesis and compound optimization are rather difficult and expensive. This study describes the structural simplification of bedaquiline while preserving antitubercular activity. The compound’s structure was split into fragments and reassembled in various combinations while replacing the two chiral carbon atoms with an achiral linkage instead. Four series of analogs were designed; these candidates retained their potent antitubercular activity at sub-microgram per mL concentrations against both sensitive and multidrug-resistant (MDR) Mycobacterium tuberculosis strains. Six out of the top nine MIC-ranked candidates were found to inhibit mycobacterial ATP synthesis activity with IC50 values between 20 and 40 μm, one had IC50>66 μm, and two showed no inhibition, despite their antitubercular activity. These results provide a basis for the development of chem. less complex, lower-cost bedaquiline derivatives and describe the identification of two derivatives with antitubercular activity against non-ATP synthase related targets.

ChemMedChem published new progress about ATPase inhibitors. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Wenkert, Ernest; Chang, Ching-Jer; Chawla, H. P. S.; Cochran, David W.; Hagaman, Edward W.; King, James C.; Orito, Kazuhiko published the artcile< General methods of synthesis of indole alkaloids. 14. Short routes of construction of yohimboid and ajmalicinoid alkaloid systems and their carbon-13 nuclear magnetic resonance spectral analysis>, Computed Properties of 33402-75-4, the main research area is akuammigine synthesis; alstonine tetrahydro synthesis; pseudoyohimbone synthesis; ajmalicine synthesis; indole alkaloid synthesis; configuration indole alkaloid; NMR carbon 13 alkaloid; yohimboid synthesis; ajmalicinoid synthesis.

Conceptually new schemes of synthesis of indole alkaloids are introduced. The yohimboid ring system is constructed by the sequential treatment of 1-tryptophyl-3-(β-oxobutyl)pyridinium bromide with base and acid. Hydrogenation of the product yields (±)-pseudoyohimbone (I). The ajmalicinoid ring system is formed by the exposure of 1-tryptophyl-3-acetylpyridinium bromide to NaCH(CO2Et)2 and then to acid, followed by hydrogenation. Subsequent reduction of dehydration of the products gives the racemates of the alkaloids tetrahydroalstonine (3α,20α-II), akuammigine (3β,20α-II) and isomers of ajmalicine (3α,20β-II). Complete C shift analyses of yohimboid and ajmalicinoid alkaloids of normal, pseudo, allo, and epiallo configuration were executed. Shifts of specific C are of stereochem. diagnostic value. A general shielding γ effect is observed for the interaction of C-H bonds with spatially rigid and directed electron pair orbitals.

Journal of the American Chemical Society published new progress about Alkaloids. 33402-75-4 belongs to class esters-buliding-blocks, and the molecular formula is C8H9NO2, Computed Properties of 33402-75-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics