Category: 112-63-0

Zhang, Jun; Wang, Xuefeng; Kuang, Yunyan; Wu, Jie published the artcile< Generation of Sulfonylated Tetrazoles through an Iron-Catalyzed Multicomponent Reaction Involving Sulfur Dioxide>, Computed Properties of 112-63-0, the main research area is cyano sulfonyl tetrazole preparation; cycloketone oxime ester alkyne trimethylsilyl azide multicomponent iron catalyst; Chemistry; Green Chemistry; Organic Chemistry; Organic Synthesis.

Herein, a five-component reaction of cycloketone oxime esters I (X = C, O; Ar = 4-trifluoromethylphenyl), alkynes, R2CCH (R2 = Ph, 1-naphthyl, cyclohex-1-en-1-yl, thiophen-3-yl, etc.) DABCO.(SO2)2, and two mols. of trimethylsilyl azide under iron catalysis is developed, giving rise to a range of cyano-containing sulfonylated tetrazoles II in moderate to good yields. This multicomponent reaction exhibits excellent selectivity and enables the formation of multiple new chem. bonds in one pot. A possible mechanism involving azidosulfonylation of alkynes, C-C bond cleavage of both cycloketone oxime esters I and alkynes, and [3 + 2] cycloaddition of trimethylsilyl azide and the nitrilium cation intermediate is proposed. Addnl., the potential of terminal alkynes acting as powerful synthons for the synthesis of tetrazoles II in a radical initiated process is demonstrated for the first time.

iScience published new progress about [3+2] Cycloaddition reaction. 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

Zheng, Yun-Dan; Zhong, Tairan; Wu, Haiming; Li, Nan; Fang, Zuye; Cao, Linlin; Yin, Xing-Feng; He, Qing-Yu; Ge, Ruiguang; Sun, Xuesong published the artcile< Crizotinib shows antibacterial activity against Gram-positive bacteria by reducing ATP production and targeting the CTP synthase PyrG>, Product Details of C19H34O2, the main research area is crizotinib antibacterial activity bacteria ATP production CTP synthase PyrG; Gram-positive bacteria; crizotinib; drug repurposing; quantitative proteomics.

Infections caused by drug-resistant bacteria are a serious threat to public health worldwide, and the discovery of novel antibacterial compounds is urgently needed. Here, we screened an FDA-approved small-mol. library and found that crizotinib possesses good antimicrobial efficacy against Gram-pos. bacteria. Crizotinib was found to increase the survival rate of mice infected with bacteria and decrease pulmonary inflammation activity in an animal model. Furthermore, it showed synergy with clindamycin and gentamicin. Importantly, the Gram-pos. bacteria showed a low tendency to develop resistance to crizotinib. Mechanistically, quant. proteomics and biochem. validation experiments indicated that crizotinib exerted its antibacterial effects by reducing ATP production and pyrimidine metabolism A drug affinity responsive target stability study suggested crizotinib targets the CTP synthase PyrG, which subsequently disturbs pyrimidine metabolism and eventually reduces DNA synthesis. Subsequent mol. dynamics anal. showed that crizotinib binding occurs in close proximity to the ATP binding pocket of PyrG and causes loss of function of this CTP synthase. Crizotinib is a promising antimicrobial agent and provides a novel choice for the development of treatment for Gram-pos. infections.

Microbiology Spectrum published new progress about Acetyl-coenzyme A carboxylase inhibitors. 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

Jia, Xiao; Weber, Stefan; Schols, Dominique; Meier, Chris published the artcile< Membrane Permeable, Bioreversibly Modified Prodrugs of Nucleoside Diphosphate-γ-Phosphonates>, Application In Synthesis of 112-63-0, the main research area is DNA polymerase antiviral antitumor nucleotide preparation; antiviral anticancer phosphorylation metabolite phosphonate nucleoside HIV human; prodrug nucleoside phosphate phosphonate transcriptase inhibitor.

Nucleoside reverse transcriptase inhibitors (NRTIs) are widely used as antiviral and anticancer agents although they require intracellular phosphorylation into their antiviral active form, the triphosphorylated nucleoside analog metabolites. We report on the synthesis and characterization of a new class of nucleoside triphosphate analogs comprising a C-alkyl-phosphonate moiety replacing the γ-phosphate. These compounds were converted into bio-reversible modified lipophilic prodrugs at the γ-phosphonate by γ-C-(alkyl)-nucleoside triphosphate analogs with high selectivity due to an enzyme-triggered delivery mechanism. The later compounds were very stable in CEM cell extracts and they were substrates for HIV-RT without being substrates for DNA-polymerases α, β and γ. In antiviral assays, excellent antiviral activity of the prodrugs was found in CEM/0 cells was completely kept in CEM/TK- cells. The activity was improved by 3 logs as compared to the parent nucleoside d4T.

Journal of Medicinal Chemistry published new progress about AIDS (disease). 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

Chand, Satish; Willis, Anthony C. published the artcile< (1S,2S)-1-(2-Bromo-4-hydroxy-3,5-dimethoxyphenyl)propane-1,2,3-triol>, Application In Synthesis of 112-63-0, the main research area is crystal structure bromohydroxydimethoxyphenylpropanetriol; mol structure bromohydroxydimethoxyphenylpropanetriol; hydrogen bond bromohydroxydimethoxyphenylpropanetriol.

(1S,2S)-1-(2-Bromo-4-hydroxy-3,5-dimethoxyphenyl)propane-1,2,3-triol, C11H15BrO6, is enantiomerically pure. The chirality at the stereogenic centers was installed via a Sharpless asym. dihydroxylation reaction and is S in each case. The crystal structure contains intermol. H-bonding interactions. Crystallog. data are given.

Acta Crystallographica, Section E: Structure Reports Online published new progress about Absolute configuration. 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

Alain, Valerie; Redoglia, Stephane; Blanchard-Desce, Mireille; Lebus, Sonja; Lukaszuk, Katarzyna; Wortmann, Rudiger; Gubler, Ulrich; Bosshard, Christian; Gunter, Peter published the artcile< Elongated push-pull diphenylpolyenes for nonlinear optics: molecular engineering of quadratic and cubic optical nonlinearities via tuning of intramolecular charge transfer>, Application of C19H34O2, the main research area is push pull diphenyl polyene nonlinear optic; intramol charge transfer push pull diphenyl polyene; dipole moment push pull diphenyl polyene; hyperpolarizability push pull diphenyl polyene.

Push-pull polyenes are of particular interest for nonlinear optics (NLO) as well as model compounds for long-distance intramol. charge transfer (ICT). In order to tune the ICT phenomenon and control the linear and nonlinear optical properties, we have synthesized and investigated several series of soluble push-pull diphenylpolyenes of increasing length and having various donor (D) and acceptor (A) end groups. Their linear and NLO properties have been studied by performing electro-optical absorption measurements (EOAM) and third-harmonic generation (THG) experiments in solution Each push-pull mol. exhibits an intense ICT absorption band in the visible characterized by an increase in dipole moment upon excitation (Δμ). By lengthening the polyenic chain, linear increases in excited-state dipoles are achieved while the ground-state dipole is maintained constant The polyenic chain thus allows for long-distance intramol. charge transfer. In addition, tuning of the magnitude of the ICT phenomenon and of the nonlinear responses is achieved by varying the donor and acceptor end groups: increasing the D/A strength leads to concomitant enhancements of Δμ, quadratic (β) and cubic (γ) hyperpolarizabilities values. Giant Δμ values (up to more than 30 D) and enhanced non-resonant quadratic and cubic NLO mol. responses (i.e. β(0)=500×10-30 esu and γ(0)=8000×10-36 esu) have been attained while maintaining suitable solubility, stability and transparency.

Chemical Physics published new progress about Bond order (alternation). 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

Foong, Choon Pin; Higuchi-Takeuchi, Mieko; Ohtawa, Kenji; Asai, Takuya; Liu, Hanqin; Ozeki, Yasuyuki; Numata, Keiji published the artcile< Engineered mutants of a marine photosynthetic purple nonsulfur bacterium with increased volumetric productivity of polyhydroxyalkanoate bioplastics>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is mutagenesis polyhydroxyalkanoate bioplastic Rhodovulum; Rhodovulum sulfidophilum; biopolymer; fluorescence-activated cell sorting; genome-wide mutagenesis; microbial cell factory; strain improvement.

Polyhydroxyalkanoates (PHAs) are green and sustainable bioplastics that could replace petrochem. synthetic plastics without posing environmental threats to living organisms. In addition, sustainable PHA production could be achieved using marine photosynthetic purple nonsulfur bacteria (PNSBs) that utilize natural seawater, sunlight, carbon dioxide gas, and nitrogen gas for growth. However, PHA production using marine photosynthetic PNSBs has not been economically feasible yet due to its high cost and low productivity. In this work, strain improvement, using genome-wide mutagenesis coupled with high-throughput screening via fluorescence-actived cell sorting, we were able to create Rhodovulum sulfidophilium mutants with enhanced volumetric PHA productivity, with an up to 1.7-fold increase. The best selected mutants (E6 and E6M4) reached the stationary growth phase 1 day faster and accumulated the maximum PHA content 2 days faster than the wild type. Maximizing volumetric PHA productivity before the stationary growth phase is indeed an addnl. advantage for R. sulfidophilum as a growth-associated PHA producer.

ACS Synthetic Biology published new progress about Bioplastics Role: BMF (Bioindustrial Manufacture), BIOL (Biological Study), PREP (Preparation). 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

Robinson, Colin W.; Rye, Carl S.; Chessum, Nicola E. A.; Jones, Keith published the artcile< A model β-sheet interaction and thermodynamic analysis of β-strand mimetics>, Related Products of 112-63-0, the main research area is beta sheet mediated protein interaction model; mimetic beta strand preparation peptide interaction thermodn.

β-Sheet mediated protein-protein interactions are involved in key signaling pathways in diseases such as cancer. Here, the authors prepared small mol. β-strand mimetics and investigated their interactions with a model tripeptide. Using 1H NMR spectroscopy, the thermodn. parameters for their binding were determined These provided insight into this biol. important interaction.

Organic & Biomolecular Chemistry published new progress about Enthalpy (of binding). 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

Katoh, Yasunaka; Tsujimoto, Yasutaka; Yamamoto, Chiyo; Ikai, Tomoyuki; Kamigaito, Masami; Okamoto, Yoshio published the artcile< Chiral recognition ability of cellulose derivatives bearing pyridyl and bipyridyl residues as chiral stationary phases for high-performance liquid chromatography>, Synthetic Route of 112-63-0, the main research area is pyridyl bearing cellulose chiral stationary phase HPLC; bipyridyl bearing cellulose chiral stationary phase HPLC.

Cellulose derivatives bearing pyridyl and bipyridyl residues were synthesized, and their recognition abilities as chiral stationary phases for HPLC were evaluated. Compared with cellulose derivatives bearing these residues at the 2-, 3- and 6-positions of a glucose ring, the regioselectively substituted derivatives exhibited relatively high chiral recognition. The recognition ability of the derivatives was significantly influenced by the coordination of a Cu(II) ion to the bipyridyl residues. The derivatives were also used for ligand-exchange chromatog. with an eluent containing a copper salt to directly sep. amino acids without derivatization.

Polymer Journal (Tokyo, Japan) published new progress about Amino acids Role: ANT (Analyte), ANST (Analytical Study) (analytes). 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

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

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