Month: November 2022

Benouatas, Assia; Laroum, Rima; Hamdouni, Noudjoud; Zemamouche, Wissame; Debache, Abdelmadjid; Boudjada, Ali published the artcile< Structural study and Hirshfeld surface analysis of (Z)-4-(2-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one>, COA of Formula: C11H12O3, the main research area is methoxybenzylidene phenylisoxazolone hirshfeld surface hydrogen bond crystal structure; Hirshfeld surface analysis; crystal structure; hydrogen bonding; isoxazole; meth­oxy­benzyl­idene; π–π stacking.

The title compound, C17H13NO3, adopts a Z configuration about the C=C bond. The isoxazole and methoxybenzylidene rings are almost coplanar with a dihedral angle of 9.63 (7)° between them. In contrast, the Ph substituent is twisted significantly out of the plane of the oxazole ring, with the two rings inclined to each other by 46.22 (4)°. The crystal structure features C-H···O, C-H···N and C-H···π hydrogen bonds and π-π contacts. An anal. of the Hirshfeld surfaces points to the importance of H···H, H···C/C···H and H···O/O···H contacts. The included surface areas of the title compound were compared to those of the isomeric structure (Z)-4-(4-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one [Zhang et al. (2015). CrystEngComm, 17, 7316-7322].

Acta Crystallographica, Section E: Crystallographic Communications published new progress about Crystal structure. 94-02-0 belongs to class esters-buliding-blocks, and the molecular formula is C11H12O3, COA of Formula: C11H12O3.

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

Yang, Xinwei; Li, Xiao; Zhu, Yanbo; Gao, YingYing; Xu, Liping published the artcile< Paeoniflorin upregulates mitochondrial thioredoxin of Schwann cells to improve diabetic peripheral neuropathy indicated by 4D label-free quantitative proteomics>, Application of C19H34O2, the main research area is .

Diabetic peripheral neuropathy (DPN) is a diabetic complication characterized by demyelination. The pathogenesis of DPN has not been fully elucidated, thus lacking therapies. In the current study, we aimed to confirm whether paeoniflorin (PF) could improve DPN by upregulating mitochondrial thioredoxin (Trx2) based on 4D Label-free proteomic experiments of Schwann cells (SCs) mitochondria. Firstly, PF increased the expression of mitochondrial processing peptidase α (Pmpca) and small ubiquitin-related modifier 1 (Sumo1) to increase mitochondrial protein processing of Trx2. Then, PF increased the protein expression of Trx reductase 2 (TrxR2) and peroxiredoxin 3 (Prx3), which belong to mitochondrial Trx systems. Accordingly, PF decreased mitochondrial reactive oxygen species (ROS) while increasing mtDNA and mitochondrial membrane potential to improve mitochondria function under high glucose environment. Furthermore, total glucosides of paeony capsules (TGP), containing more than 90% PF, increased the Trx2, TrxR2, and Prx3 levels in sciatic nerve of DPN rats, thus reducing demyelination as well as improving mech. pain threshold, thermal pain threshold, motor nerve conduction velocity (MNCV), and sensor nerve conduction velocity (SNCV). Overall, these results suggest that PF could provide protection for DPN by upregulating Trx2.

Oxidative Medicine and Cellular Longevity published new progress about 112-63-0. 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

Ramadoss, Velayudham; Alonso-Castro, Angel Josabad; Campos-Xolalpa, Nimsi; Solorio-Alvarado, Cesar R. published the artcile< Protecting-Group-Free Total Synthesis and Biological Evaluation of 3-Methylkealiiquinone and Structural Analogues>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is methylkealiiquinone synthesis antitumor.

The modular protecting-group-free total synthesis of 3-methylkealiiquinone (I), an analog of the marine alkaloid kealiiquinone, was accomplished in seven steps. A regioselectively constructed functionalized arylbenzimidazolone moiety and di-Me squarate were used as the only two building blocks. A thermal ring expansion via 6π-conrotatory ring closure to build the quinone fragment gave rise to the desired linear analog of the natural compound along with a nondescribed structurally attractive angular naphtho[1,2-d]imidazole regioisomer. The IC50 values for the compounds were determined on three cancer cell lines.

Journal of Organic Chemistry published new progress about Alkaloids Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses) (imidazole). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Liu, Qiong; Cao, Hui; Xu, Wengang; Li, Jing; Zhou, Qi; Tao, Weijian; Zhu, Haiming; Cao, Xingzhong; Zhong, Linxin; Lu, Jiong; Peng, Xinwen; Wu, Jie published the artcile< Vacancy engineered polymeric carbon nitride nanosheets for enhanced photoredox catalytic efficiency>, Related Products of 112-63-0, the main research area is carbon nitride nanosheet photoredox catalytic efficiency.

Polymeric carbon nitrides (PCNs) have emerged as promising heterogeneous photocatalysts for organic transformations as they are metal-free, inexpensive, and possess tunable bandgaps, with excellent chem. stability and photo-stability. However, current application of PCNs in organic synthesis is rather limited to several well-established materials, which limits the scope of reaction patterns and efficiency. We herein report the synthesis and fabrication of two PCN nanosheets by incorporating nanostructure construction, element doping, and vacancy engineering into one hybrid platform. The heteroatom doped PCN nanosheets with vacancies feature highly porous structures with extremely large substrate-catalyst interface areas and enhanced charge separation The generated heterogeneous catalysts demonstrate impressive photoredox catalytic performances in a variety of organic transformations (e.g., defluoroborylation; [2+2] cycloaddition; C-N, C-S, C-O cross-couplings; and an unprecedented regioselective hydrosilylation), providing efficiencies comparable to reported optimized homogeneous catalysts and exceeding those with commonly utilized PCNs.

Cell Reports Physical Science published new progress about Band gap. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

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

Zahedifar, Mahboobeh; Es-haghi, Ali; Zhiani, Rahele; Sadeghzadeh, Seyed Mohsen published the artcile< Synthesis of benzimidazolones by immobilized gold nanoparticles on chitosan extracted from shrimp shells supported on fibrous phosphosilicate>, Category: esters-buliding-blocks, the main research area is chitosan fibrous phosphosilicate supported gold nanocatalyst preparation surface area; phenylenediamine carbon dioxide reusable gold nanocatalyst carbonylation; benzimidazolone preparation green chem.

The synthesis of benzimidazolones from o-phenylenediamines and carbon dioxide in the presence of gold nanoparticles supported on a composite material based on microcrystalline chitosan from shrimp shells and fibrous phosphosilicate (CS-FPS/Au) was demonstrated. The results showed that the gold nanoparticles were stable with the P, N and O atoms of CS-FPS. The morphol. and structure of FPS led to a higher catalytic activity. The CS-FPS/Au NPs were thoroughly characterized using TEM, FESEM, TGA, FTIR and BET.

RSC Advances published new progress about Aromatic diamines Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), RCT (Reactant), PROC (Process), RACT (Reactant or Reagent). 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

Luo, Guanglin; Chen, Ling; Burton, Catherine R.; Xiao, Hong; Sivaprakasam, Prasanna; Krause, Carol M.; Cao, Yang; Liu, Nengyin; Lippy, Jonathan; Clarke, Wendy J.; Snow, Kimberly; Raybon, Joseph; Arora, Vinod; Pokross, Matt; Kish, Kevin; Lewis, Hal A.; Langley, David R.; Macor, John E.; Dubowchik, Gene M. published the artcile< Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors>, Synthetic Route of 112-63-0, the main research area is preparation isonicotinamide brain glycogen synthase kinase inhibitor antitumor neoplasm; crystal structure.

GSK-3 is a serine/threonine kinase that has numerous substrates. Many of these proteins are involved in the regulation of diverse cellular functions, including metabolism, differentiation, proliferation, and apoptosis. Inhibition of GSK-3 may be useful in treating a number of diseases including Alzheimer’s disease (AD), type II diabetes, mood disorders, and some cancers, but the approach poses significant challenges. Here, the authors present a class of isonicotinamides, e.g. I [R = F, Cl] that are potent, highly kinase-selective GSK-3 inhibitors, the members of which demonstrated oral activity in a triple-transgenic mouse model of AD. The remarkably high kinase selectivity and straightforward synthesis of these compounds bode well for their further exploration as tool compounds and therapeutics.

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, Synthetic Route of 112-63-0.

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

Bertoniere, Noelie R.; Martin, Lawrence F.; Rowland, Stanley P. published the artcile< Stereoselectivity in the elution of sugars from columns of Sephadex G-15>, Category: esters-buliding-blocks, the main research area is Sephadex sugar elution stereoselectivity.

The gel-permeation characteristics of selected sugars and sugar derivatives were determined on a column of Sephadex G-15. The following observations were made: (1) the Sephadex G-15 column does not distinguish between enantiomeric saccharides, (2) a decrease in Rg value is observed on going from a methylene (deoxy) to a hydroxyl to a methoxyl group in monosaccharides, (3) methylation or reduction of a particular hydroxyl group affects the Rg values selectively, (4) the substituted (methyl or glucosyl) α anomer is retained on the column longer than the corresponding β anomer, and (5) sugars having either one or no axially attached hydroxyl group are eluted in the order (increasing Rg value): axially attached hydroxyl groups at C-4, at no carbon atom, at C-2, and at C-3.

Carbohydrate Research published new progress about Carbohydrates. 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

Majumdar, K. C.; Roy, B. published the artcile< Synthesis of thiochromen-4-one-annelated heterocycles: regioselective cyclization of 3-hydroxy-2-(2-cyclohexen-1-yl)thiochromen-4-one>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is regioselective cyclization cyclohexenylhydroxythiochromenone; benzofurothiochromenone preparation; thiochromenone annelated heterocycle preparation.

The title compound (I) was synthesized in 80% yield by the thermal [3,3]-sigmatropic rearrangement of 3-(2-cyclohexen-1-yloxy)thiochromen-4-one. Treatment of I with bis(benzonitrile)palladium dichloride in refluxing benzene afforded a linearly cyclized product (II) in 98% yield, which on dehydrogenation with palladized charcoal gave benzofuro[3,2-b]thiochromen-6-one. Substrate I on reaction with hexamethylenetetramine hydrotribromide gave a mixture of three products: III (35%), IV (15%), and V (20%). The same reaction when conducted with pyridine hydrotribromide furnished only the dibromide V, which was then cyclized in acetone-potassium carbonate to give IV in 85% yield. V was cyclized by heating with palladized charcoal in di-Ph ether to give a mixture of II (7%) and IV (63%). Substrate I was also cyclized in cold concentrated H2SO4 to give VI in 95% yield.

Synthetic Communications published new progress about Heterocyclization. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Li, Na; Yu, Yongzhou; Cui, Xiaoyan; Liu, Qi; Xiong, Hui published the artcile< High-throughput UPLC-Q-TOF-MS/MS coupled with multivariable data processing approach for the rapid screening and characterization of chemical constituents and potential bioactive compounds from Danggui Shaoyao San>, Computed Properties of 112-63-0, the main research area is Danggui Shaoyao San bioactive compound UPLC TOF MS; Danggui Shaoyao San; UPLC-Q-TOF-MS; constituents; multivariable data processing approach; traditional Chinese medicine.

Danggui Shaoyao San (DSS), a herbal formula, has been widely used for decades in China to treat senile dementia and dysmenorrhea. Here, an integrative high-throughput UPLC-Q-TOF-MS/MS method coupled with a multivariable data processing approach was established for rapidly screening and identifying chem. constituents and potential bioactive compounds from DSS. Through the comparison with mass fragment ions, relevant literature, and inhouse reference material database coupled with MS cleavage mechanism, 150 chem. constituents, mainly including triterpenoids, flavonoids, phathalides, and organic acids, were tentatively characterized. Most of them were identified for the first time. Then, principal component anal. was used to evaluate the differences in chem. profiles between groups, whereas the variable importance of the projection (VIP) spectrum (VIP > 1) and the trend plot of orthogonal partial least squares discriminant anal. were applied to intuitively screen the candidate variables present only in the dosed group. Consequently, by comparison with all the characterized components in vitro, 23 potential bioactive compounds were successfully identified, comprising 5 triterpenoids, 4 phathalides, 4 flavonoids, 4 organic acids, 3 lactones, and 3 other compounds, which were present in various medicinal materials, reflecting a synergistic mechanism. This work developed a rapid, reliable, and robust approach for comprehensive characterization of the chem. components and potential bioactive compounds of DSS, providing solid data for further research on pharmacodynamic substances and pharmacol. mechanisms of DSS.

Biomedical Chromatography published new progress about Alisma orientale. 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

Bao, Haoyuan; Wu, Yufei; Liu, Jiangling; Hua, Xilin; Lai, Guoqiao; Yang, Xiongfa published the artcile< Polyester-polysiloxane hyperbranched block polymers for transparent flexible materials>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is polyester polysiloxane hyperbranched block polymer transparent flexible material.

Highly transparent flexible silicone elastomers are useful for certain stretchable electronics and various types of smart devices. Polyester-polysiloxane hyperbranched block copolymers are synthesized by ring-opening polymerization of octamethylcyclotetrasiloxane initiated by macromol. lithium alkoxide. Treatment of these copolymers with tetraethoxysilane and dibutylin dilaurate at room temperature gives the corresponding transparent elastic materials. The transparency of the materials can reach 90% (700-800 nm), and the starting thermal decomposition temperatures of the materials are higher than 330°C. Very interestingly, though the highest tensile strength of the material prepared is about 0.48 MPa, the elongation at break can reach 778-815%. The results will inspire us to develop highly transparent flexible silicone materials by designing copolymers of silicone materials and hyperbranched polymers.

ACS Omega published new progress about Branched polymers Role: RCT (Reactant), RACT (Reactant or Reagent) (hyperbranched). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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