Month: October 2022

Novotny, Jan; Yurenko, Yevgen P.; Kulhanek, Petr; Marek, Radek published the artcile< Tailoring the properties of quadruplex nucleobases for biological and nanomaterial applications>, Reference of 112-63-0, the main research area is guanine quadruplex xanthine derivative mol dynamic simulation.

Guanine DNA quadruplexes are interesting and important biol. objects because they represent potential targets for regulatory drugs. Their use as building blocks for biomaterial applications is also being investigated. This contribution reports the in silico design of artificial building blocks derived from xanthine. Methods of quantum chem. were used to evaluate the properties of xanthine structures relative to those containing guanine, the natural reference used. Tailoring the xanthine core showed that the base stacking and the ion coordination were significantly enhanced in the designed systems, while the ion-transport properties were not affected. Our study suggests that the 9-deaza-8-haloxanthine bases (where the halogen is fluorine or chlorine) are highly promising candidates for the development of artificial quadruplexes and quadruplex-active ligands.

Physical Chemistry Chemical Physics published new progress about Density functional theory. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

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

Liu, Yue; Zhang, Ying; Huang, Qian-Wei; Gou, Chuan; Li, Qing-Zhu; Dai, Qing-Song; Leng, Hai-Jun; Li, Jun-Long published the artcile< Organocatalytic Enantioselective Synthesis of Tetrahydro-Furanyl Spirooxindoles via [3+2] Annulations of 3-Hydroxyoxindoles and Cyclic Ketolactams>, HPLC of Formula: 112-63-0, the main research area is hydoxyindole pyrrolidinedione cinchona catalyst enantioselective antitumor cyclization; tetrahydrofuranyl spirooxindole preparation.

Asym. construction of pharmacol. interesting tetrahydrofuranyl spirooxindole frameworks was achieved through organocatalytic [3+2] annulations of the readily available 3-hydroxyoxindoles and pyrrolidone-derived cyclic ketolactams. A variety of chiral spiro tetrahydrofuranyl products, which contained four contiguous stereocenters including two tetrasubstituted carbon centers were rapidly synthesized with remarkable results (up to 99% yield, >95:5 dr and 99:1 er). Synthetic derivatization of the hemiketal moiety enabled the installation of various halogen atoms into the structurally complex mols. in a stereospecific manner. Preliminary screening of anticancer bioactivity was performed, and 4 w showed obvious inhibitory capacity to the proliferation on a panel of cancer cell lines.

Advanced Synthesis & Catalysis published new progress about [3+2] Cycloaddition reaction catalysts (stereoselective). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

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

Yokota, Chisato; Kagawa, Naoki; Takano, Koji; Chiba, Yasuyoshi; Kinoshita, Manabu; Kijima, Noriyuki; Oji, Yusuke; Oka, Yoshihiro; Sugiyama, Haruo; Tsuboi, Akihiro; Izumoto, Shuichi; Kishima, Haruhiko; Hashimoto, Naoya published the artcile< Maintenance of WT1 expression in tumor cells is associated with a good prognosis in malignant glioma patients treated with WT1 peptide vaccine immunotherapy>, HPLC of Formula: 112-63-0, the main research area is CD4 CD8 WT1 malignant glioma peptide vaccine immunotherapy; Cancer vaccine; Glioma; Immunotherapy; Intra-tumor immune response; Wilms tumor gene 1.

We have previously revealed the overexpression of Wilms’ tumor gene 1 (WT1) in malignant glioma and developed WT1 peptide vaccine cancer immunotherapy. A phase II clin. trial indicated the clin. efficacy of the WT1 peptide vaccine for recurrent malignant glioma. Here, we aimed to investigate the immunol. microenvironment in glioma tissues before and after WT1 peptide vaccine treatment. Paired tissue samples were obtained from 20 malignant glioma patients who had received the WT1 peptide vaccine for > 3 mo and experienced tumor progression, confirmed radiog. and/or clin., during vaccination. We discovered that the expression of WT1 and HLA class I antigens in the tumor cells significantly decreased after vaccination. Maintenance of WT1 expression, which is the target mol. of immunotherapy, in tumor cells during the vaccination period was significantly associated with a longer progression-free and overall survival. A high expression of HLA class I antigens and low CD4+/CD8+ tumor-infiltrating lymphocytes (TIL) ratio in pre-vaccination specimens, were also associated with a good prognosis. No statistically significant difference existed in the number of infiltrating CD3+ or CD8+ T cells between the pre- and post-vaccination specimens, whereas the number of infiltrating CD4+ T cells significantly decreased in the post-vaccination specimens. This study provides insight into the mechanisms of intra-tumoral immune reaction/escape during WT1 peptide vaccine treatment and suggests potential clin. strategies for cancer immunotherapy.

Cancer Immunology Immunotherapy published new progress about Cancer immunotherapy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

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

Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D. published the artcile< Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene>, Application In Synthesis of 617-55-0, the main research area is tetrathiafulvalene nonracemic preparation oxidation potential; dithiolodithiinylidene dithiolodithiinacetate nonracemic preparation oxidation potential; spirodioxolanedithiolodithiepinylidene spirodioxolanedithiolodithiepine nonracemic preparation oxidation potential; cyclopropadithiolobenzodithiinylidene cyclopropadithiolobenzodithiin stereoselective nonracemic preparation oxidation potential; fused dithiolodithiin stereoselective nonracemic preparation crystal structure; stereoselective Diels Alder cycloaddition dithioletrithione alkene; mol crystal structure nonracemic fused dithiolodithiin; oxidation potential nonracemic tetrathiafulvalene.

Nonracemic tetrathiafulvalenes such as I, II, and III are prepared from nonracemic starting materials. Me (dithiolodithiinylidene)dithiolodithiinacetate I is prepared in six steps from di-Me malate using a double nucleophilic substitution reaction with a dithiolethionedithiolate as the key step. (spirodioxolanedithiolodithiepinylidene)spirodioxolanedithiolodithiepine II is prepared in four steps from trans-stilbene and a thioxodithiolodithiepinone using a ketalization reaction to incorporate absolute stereochem. into the tetrathiafulvalene system. (cyclopropadithiolobenzodithiinylidene)cyclopropadithiolobenzodithiin III (and its double bond stereoisomer) are prepared in three steps from (+)-2-carene using the stereoselective Diels-Alder cycloaddition with dithioletrione IV as the key step. Other nonracemic alkenes undergo stereoselective Diels-Alder reactions with IV to yield nonracemic fused dithiolodithiins. The oxidation potentials of I, II, and III and related tetrathiafulvalenes are determined; the oxidation potential of III differs from that of related racemic compounds The crystal structures of fused dithiolethiones generated by Diels-Alder cycloaddition of (-)-α-pinene, (-)-β-pinene, and (+)-2-carene with IV are determined by X-ray crystallog. and discussed.

Organic & Biomolecular Chemistry published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent). 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Application In Synthesis of 617-55-0.

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

Papageorgiou, Christos; Benezra, Claude published the artcile< Use of enzymic hydrolysis of dimethyl malates for a short synthesis of tulipalin B and of its enantiomer>, Safety of (S)-Dimethyl 2-hydroxysuccinate, the main research area is dimethyl malate regiochem esterase hydrolysis; tulipalin B.

Pig liver esterase hydrolyzes the ester function α to the hydroxyl group in di-Me malate. This regiospecific reaction was used to synthesize (+)- and (-)-tulipalin B.

Journal of Organic Chemistry published new progress about Regiochemistry. 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Safety of (S)-Dimethyl 2-hydroxysuccinate.

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

Yang, Guo-Hui; Zheng, Hanliang; Li, Xin; Cheng, Jin-Pei published the artcile< Asymmetric Synthesis of Axially Chiral Phosphamides via Atroposelective N-Allylic Alkylation>, Application In Synthesis of 112-63-0, the main research area is atroposelective allylic alkylation MBH carbonate phosphamide; axially chiral phosphamide preparation crystal structure; mol structure axially chiral phosphamide; linear free energy relationship axially chiral phosphamide.

Axially chiral anilide compounds are an emerging but scarcely studied class of stereogenic mols. with potential applications as biol. active scaffolds. Because of the lower rotation barriers, the synthesis of these compounds is a challenging task. Also, the status of the limited structure type of chiral anilide constrains the latent capacity of the C-N axis as a chiral source in the application of asym. synthesis. Herein, the authors disclose an efficient protocol for the construction of the rationally designed axially chiral phosphamides via atroposelective N-allylic alkylation reaction of MBH carbonates and phosphamides. The simple hydroquinidine catalyst proves to be most efficient in this artroposelective strategy, delivering the desired axially chiral phosphamides in good yields and high enantioselectivities. A phosphamide compound, which contains both P-stereogenic center and C-N axial chirality, can be obtained by this method through a kinetic resolution process. Because of the large steric diaryl phosphoryl group, the synthesized axially chiral anilide has a large rotational barrier. As a demonstration, current studied axially chiral ortho-I substituted phosphamides could act as efficient chiral hypervalent I(III) catalysts for the asym. oxidative dearomatization of phenols. Also, a speculative model, which can explain the enantiocontrol, is proposed based on the exptl. observation and theor. calculation

ACS Catalysis published new progress about Alkylation catalysts (chiral sulfonamides). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

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

Langford, Caitlin R.; Johnson, David W.; Cameron, Neil R. published the artcile< Preparation of Hybrid Thiol-Acrylate Emulsion-Templated Porous Polymers by Interfacial Copolymerization of High Internal Phase Emulsions>, HPLC of Formula: 71195-85-2, the main research area is thiol acrylate emulsion templated porous polymer interfacial copolymerization; biomaterials; copolymerization; foams; macroporous polymers; photopolymerization.

Emulsion-templated highly porous polymers (polyHIPEs), containing distinct regions differing in composition, morphol., and/or properties, are prepared by the simultaneous polymerization of two high internal phase emulsions (HIPEs) contained within the same mold. The HIPEs are placed together in the mold and subjected to thiol-acrylate photopolymerization The resulting polyHIPE material is found to contain two distinct semicircular regions, reflecting the composition of each HIPE. The original interface between the two emulsions becomes a copolymerized band between 100 and 300 μm wide, which is found to be mech. robust. The sep. polyHIPE layers are distinguished from one another by their differing average void diameter, chem. composition, and extent of contraction upon drying.

Macromolecular Rapid Communications published new progress about Click chemistry. 71195-85-2 belongs to class esters-buliding-blocks, and the molecular formula is C9H3F5O2, HPLC of Formula: 71195-85-2.

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

Yu, Jin-Sheng; Noda, Hidetoshi; Shibasaki, Masakatsu published the artcile< Exploiting β-amino acid enolates in direct catalytic diastereo- and enantioselective C-C bond-forming reactions>, SDS of cas: 112-63-0, the main research area is hybrid dipeptide synthesis spiro compound Shibasaki catalyst alkaloid; isoxazolidinone synthon beta amino acid enolate synthesis solvent effect; enantioselective diastereoselective catalytic synthesis Mannich adduct coupling amino ketoacid; amino acids; asymmetric catalysis; organocatalysis; peptides; spiro compounds.

In contrast to the widespread use of α-amino acid-equivalent enolates for the preparation of non-natural amino acids, the utilization of β-amino-acid counterparts has been limited. This deficit has resulted in a short supply of β2, 2-amino acids bearing two substituents at the α-carbon, especially for peptide synthesis. Herein, racemic 4-substituted isoxazolidin-5-ones were used as precursors of β2-amino acid enolates in the direct catalytic diastereo- and enantioselective C-C bond-forming reactions, constructing two adjacent stereocenters in a highly stereoselective fashion. The obtained adducts were smoothly coupled with α-amino acid-derived α-ketoacids to afford α/β2, 2-hybrid dipeptides suitable for 9-fluorenylmethoxycarbonyl (Fmoc)-based solid-phase peptide synthesis (Fmoc = 9-fluorenylmethoxycarbonyl). Moreover, the Mannich adducts obtained from isatin-derived imines were converted to spirocyclic β-lactams, which have recently received increased attention due to their unique biol. activities and conformational preferences.

Chemistry – A European Journal published new progress about Alkaloids Role: CAT (Catalyst Use), USES (Uses). 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

Peng, Guowen; Xiao, Fangzhu; Nie, Changming; Liao, Lifu; Yang, Shengyuan published the artcile< Quantum topological method studies on QSRR for chiral organic compounds>, Synthetic Route of 112-63-0, the main research area is quantum topol QSRR chiral organic.

Based on topol. chem. theory, as well as the bonding at. structural features and the local chem. microenvironment, the authors introduced two new chiral topol. indexes w1, w2, with the space distance between atoms using d. functional theory (DFT) at the B3LYP/6-31+G(d) level instead of the traditional topog. distance in two-dimensional topog. distance matrix. The authors also colored all atoms in mol. graph with equilibrium electro-negativity based on distance matrix and branch vertex of atoms in a mol., and corrected the distance matrix by chiral factors. Quant. structure-retention relation (QSRR) was systematically made on relation between the retention indexes RM from a chiral thin-layer chromatogram for 18 chiral organic acids (8 hydroxyl acids and 10 amino acids) and the chiral topol. index w1, w2 by partial least square regression (PLS). The calculated results by the model indicate that the average relative deviations between calculated values and exptl. data of retention indexes RM of chiral compounds are among the exptl. deviations. To validate the estimation stability for internal samples and the predictive capability for external samples of resulting models, leave-one-out (LOO) cross validation (CV) and external validation were performed. And the models all have good stability and predictability.

Huaxue Xuebao published new progress about Amino acids Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), PROC (Process). 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

Ree, Brian J.; Mato, Yoshinobu; Xiang, Li; Kim, Jehan; Isono, Takuya; Satoh, Toshifumi published the artcile< Topologically controlled phase transitions and nanoscale film self-assemblies of cage poly(ε-caprolactone) and its counterparts>, Related Products of 112-63-0, the main research area is polycaprolactone film phase transition counterpart thermal property.

Here we report the first quant. investigation of nanoscale film morphologies of a cage-shaped poly(ε-caprolactone) (cg-PCL9k) and its counterparts in star, cyclic, and linear topologies (st-PCL9k, cy-PCL6k, and l-PCL6k) with consideration of topol. influence through synchrotron grazing incidence X-ray scattering anal. The folded crystalline layer thickness lc is found to be in the increasing order of: st-PCL9k < l-PCL6k < cy-PCL6k< cg-PCL9k. Addnl. structural parameters, such as lamellar orientation, crystallinity, and orientation of orthorhombic lattice in nanoscale film, exhibit intricate dependencies on their mol. topologies and steric influences from the mol. joints and end groups. Nevertheless, all topol. PCLs form lamellar structures based on the orthorhombic crystal lattice in nanoscale films. In addition, crystallization temperature Tc and crystal melting temperature Tm of all PCLs in bulk are highly dependent on the mol. topol.; both Tc and Tm follow the same increasing trend of: st-PCL9k < l-PCL6k< cy-PCL6k < cg-PCL9k. Phase transition characteristics such as heat of fusion and crystallinity in bulk state, and thermal stability also depend upon the topol. and steric influences. Polymer Chemistry published new progress about Branched polymers, star-branched Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 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