Category: 112-63-0

Balasubramanian, Pavithra K.; Balupuri, Anand; Cho, Seung Joo published the artcile< Structural insights into the ligand-binding hot spots of APEX1: an in silico analysis>, HPLC of Formula: 112-63-0, the main research area is APEX1 inhibitor binding energy cancer.

Human apurinic/apyrimidinic endonuclease (APEX1) is a multifunctional protein involved in the repair of DNA damage. It plays a vital role in the base excision repair. Overexpression of APEX1 is observed in a variety of cancers. High APEX1 expression has been associated with deprived result to radio and chemotherapy. It also plays an important role in therapeutic agent resistance and disease suppression. If APEX1 activities could be regulated, the protein would be a favorable and efficient cancer target. So far, inhibitor binding site of APEX1 is not studied in detail. The present study focuses on the identification of ligand-binding hot spot residues of APEX1. Docking studies were performed on seventy-one recently reported APEX1 inhibitors. The docking results identified that most of the compounds with biphenyl moiety occupied the same binding site. Majority of compounds were found to form hydrogen bond interaction with Asn174, Arg156, His309, Tyr128, Asn212, Arg181 and Asn226 and hydrophobic interaction with Phe266, Trp280 and Tyr128. The results could provide useful structural insights about the binding mode of APEX1 inhibitors and the crucial hot spot residues which are essential for ligand recognition.

Medicinal Chemistry Research published new progress about Antitumor agents. 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

Abdelsalam, Asmaa; Chowdhury, Kamal; Boroujerdi, Arezue; El-Bakry, Ahmed published the artcile< Nuclear magnetic resonance characterizes metabolic differences in Cymbopogon schoenanthus subsp. proximus embryogenic and organogenic calli and their regenerated shoots>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Cymbopogon schoenanthus embryogenic organogenic calli shoot NMR.

NMR-based metabolic profiling of polar extracts of somatic embryogenic and organogenic cultures of the medicinal plant Cymbopogon schoenanthus subsp. proximus were studied. Regeneration through somatic embryogenesis was done on media containing 2,4-D and BAP while organogenesis was achieved on media containing NAA and BAP. Fifty-two metabolites were identified in embryogenic calli (EC), organogenic calli (OC), regenerated embryogenic shoots (ES), and organogenic shoots (OS). Chemometrics and cluster anal. were used to depict the correlation between the groups investigated. Metabolic profiles revealed unique metabolites in ES (serine and lactate) and in OS (2-hydroxyisobutyrate, tyrosine, histamine and homoserine). Quant. differences as manifested by relative concentrations through heat map and fold change analyses were significant in the following comparisons: calli type, embryogenic tissues, organogenic tissues, and shoot type. In a comparison of calli types, proline, asparagine and arginine were upregulated in EC and sucrose was upregulated in OC. When comparing embryogenic tissues, monosaccharides were upregulated in EC, while proline, pyroglutamate and 4-aminobutyrate were upregulated in ES. Upon comparison of organogenic tissues, trigonelline increased by 17-fold in OS; however, monosaccharides were upregulated in OC. Finally, when comparing shoot types, 4-aminobutyrate, betaine and proline were upregulated in ES, while mono- and disaccharides were upregulated in OS. The embryogenic system was characterized by accumulation of stress related metabolites (proline); however, glycolate was identified only in the organogenesis system. The present work contributes to the understanding of the metabolic characteristics and differences between the two regeneration systems as manifested by profiles of EC, OC, and their regenerated shoots.

Plant Cell, Tissue and Organ Culture published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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, Yangyang; Xu, Xieyu; Kapitanova, Olesya O.; Evdokimov, Pavel V.; Song, Zhongxiao; Matic, Aleksandar; Xiong, Shizhao published the artcile< Electro-Chemo-Mechanical Modeling of Artificial Solid Electrolyte Interphase to Enable Uniform Electrodeposition of Lithium Metal Anodes>, Application In Synthesis of 112-63-0, the main research area is lithium metal anode electrodeposition; electrochemomech modeling artificial solid electrolyte.

Nonuniform electrodeposition of lithium during charging processes is the key issue hindering development of rechargeable Li metal batteries. This deposition process is largely controlled by the solid electrolyte interphase (SEI) on the metal surface and the design of artificial SEIs is an essential pathway to regulate electrodeposition of Li. In this work, an electro-chemo-mech. model is built and implemented in a phase-field modeling to understand the correlation between the phys. properties of artificial SEIs and deposition of Li. The results show that improving ionic conductivity of the SEI above a critical level can mitigate stress concentration and preferred deposition of Li. In addition, the mech. strength of the SEI is found to also mitigate non-uniform deposition and influence electrochem. kinetics, with a Young’s modulus around 4.0 GPa being a threshold value for even deposition of Li. By comparison of the results to exptl. results for artificial SEIs it is clear that the most important direction for future work is to improve the ionic conductivity without compromising mech. strength. In addition, the findings and methodol. presented here not only provide detailed guidelines for design of artificial SEI on Li-metal anodes but also pave the way to explore strategies for regulating deposition of other metal anodes.

Advanced Energy Materials published new progress about Battery anodes. 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

Moitessier, Nicolas; Chretien, Francoise; Chapleur, Yves published the artcile< Asymmetric dihydroxylation of D-xylose-derived allyl ethers>, COA of Formula: C19H34O2, the main research area is stereochem hydroxylation xyloside ether; allylxyloside asym dihydroxylation AD mix.

The catalytic asym. dihydroxylation of several allyl 2-O-benzyl-α-D-xylosides with AD-mix β and PYR(DHQD)2 shows poor diastereofacial selectivity if the 3- and 4-OH groups are unprotected or acetylated. Acetal, benzyl ethers and benzoyl esters enhance the diastereoselectivity which is opposite to that predicted by the “”AD mnemonic”” and which is completely lost using AD-mix α.

Tetrahedron: Asymmetry published new progress about Hydroxylation (asym., di-). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

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

Lockett-Walters, Bruce; Trujillo, Cristina; Twamley, Brendan; Connon, Stephen published the artcile< The base-catalysed Tamura cycloaddition reaction: calculation, mechanism, isolation of intermediates and asymmetric catalysis>, Synthetic Route of 112-63-0, the main research area is mechanism calculation base catalyzed Tamura cycloaddition.

A combined exptl. and computational investigation has revealed that the base-catalyzed Tamura cycloaddition between homophthalic anhydride and activated alkenes/alkynes – a reaction previously thought of as a Diels-Alder type process – proceeds via a stepwise mechanism involving conjugate addition and ring closure; which allowed the first catalytic asym. α-substitution reactions to be demonstrated with up to >99% ee.

Chemical Communications (Cambridge, United Kingdom) published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 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

Bollikonda, Satyanarayana; Mohanarangam, Saravanan; Jinna, Rajender Reddy; Kandirelli, Venkata Kiran Kumar; Makthala, Laxman; Sen, Saikat; Chaplin, David A.; Lloyd, Richard C.; Mahoney, Thomas; Dahanukar, Vilas Hareshwar; Oruganti, Srinivas; Fox, Martin E. published the artcile< An Enantioselective Formal Synthesis of Montelukast Sodium>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is montelukast sodium enantioselective formal synthesis; Mizoroki Heck double bond isomerization asym hydrogenation.

A formal synthesis of the antiasthma drug montelukast sodium is described, wherein the key chiral diol intermediate I was accessed with greater convergence of the C-C bond-forming steps as compared to previous routes. Improved synthetic efficiency was achieved by deploying homogeneous metal-based catalysis in two pivotal steps. In the first, a tandem Mizoroki-Heck reaction and double-bond isomerization between a previously known allyl alc. intermediate and a hindered 2-(2-halophenyl)propan-2-ol secured direct access to the 3-(2-(2-hydroxypropan-2-yl)phenyl)-1-phenylpropan-1-one moiety in the product. In the second step, asym. hydrogenation of the ketone functionality in the Mizoroki-Heck reaction product provided a convenient method to introduce the benzylic alc. chiral center and obtain the desired chiral diol precursor of montelukast sodium. A detailed catalyst screening led to the identification of ((R)-Xyl-BINAP)((R,R)-DPEN)RuCl2 as a catalyst that afforded an enantioselectivity of 99% ee in the hydrogenation step on a multigram lab scale at a molar substrate:catalyst loading of 5000:1.

Journal of Organic Chemistry published new progress about Enantioselective synthesis. 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

Zacharioudakis, Emmanouil; Agianian, Bogos; Kumar MV, Vasantha; Biris, Nikolaos; Garner, Thomas P.; Rabinovich-Nikitin, Inna; Ouchida, Amanda T.; Margulets, Victoria; Nordstroem, Lars Ulrik; Riley, Joel S.; Dolgalev, Igor; Chen, Yun; Wittig, Andre J. H.; Pekson, Ryan; Mathew, Chris; Wei, Peter; Tsirigos, Aristotelis; Tait, Stephen W. G.; Kirshenbaum, Lorrie A.; Kitsis, Richard N.; Gavathiotis, Evripidis published the artcile< Modulating mitofusins to control mitochondrial function and signaling>, Quality Control of 112-63-0, the main research area is peptide mitofusin signaling mitochondrial function oligomerization.

Mitofusins reside on the outer mitochondrial membrane and regulate mitochondrial fusion, a physiol. process that impacts diverse cellular processes. Mitofusins are activated by conformational changes and subsequently oligomerize to enable mitochondrial fusion. Here, we identify small mols. that directly increase or inhibit mitofusins activity by modulating mitofusin conformations and oligomerization. We use these small mols. to better understand the role of mitofusins activity in mitochondrial fusion, function, and signaling. We find that mitofusin activation increases, whereas mitofusin inhibition decreases mitochondrial fusion and functionality. Remarkably, mitofusin inhibition also induces minority mitochondrial outer membrane permeabilization followed by sub-lethal caspase-3/7 activation, which in turn induces DNA damage and upregulates DNA damage response genes. In this context, apoptotic death induced by a second mitochondria-derived activator of caspases (SMAC) mimetic is potentiated by mitofusin inhibition. These data provide mechanistic insights into the function and regulation of mitofusins as well as small mols. to pharmacol. target mitofusins.

Nature Communications published new progress about Apoptosis-regulating protein DIABLO Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

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

Yasui, Shinro; Itoh, Kenji; Ohno, Atsuyoshi published the artcile< Kinetic study on debromination of vic-dibromides with trivalent phosphorus compounds>, Application In Synthesis of 112-63-0, the main research area is vic dibromide debromination trivalent phosphorus kinetics; substituent effect vic dibromide debromination trivalent phosphorus.

Various types of trivalent phosphorus compounds PZ3 (PZ3 = P(2,6-OMe-C6H3)3, PPh3, PPh2OEt, PPh2OMe, PPh(OEt)2, PPh(OMe)2, P(OEt)3) brought about reductive debromination of vic-dibromides BrC(H)(Ph)-C(H)(R’)Br (R’ = Ph, COOEt, 4-NO2-C6H4) to afford olefins. The reaction was accelerated by either electron-releasing substituents on the phosphorus or electron-withdrawing substituents on the α-carbon of the vic-dibromides. The substituent effects, along with the stereochem. of the reaction, are consistent with an E1CB-like mechanism for the elimination of the two bromine atoms. That is, the phosphorus compounds initially undergo nucleophilic attack upon a bromine of the vic-dibromides. At the transition state, a fractional pos. charge is developed on the phosphorus and a fractional neg. charge on the carbon of the vic-dibromide. This mechanism suggests the importance of an electronic character of the vic-dibromide in determining the relative ease of bromophilicity, carbophilicity, and basicity of the phosphorus of a trivalent phosphorus compound in a reaction with the dibromide.

Heteroatom Chemistry published new progress about Bromides 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, Application In Synthesis of 112-63-0.

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

Rodrigues, Jeisa Zielle de Souza; Passos, Manuela Ribeiro; Silva de Macedo Neres, Nayara; Almeida, Rafael Silva; Pita, Louise Soares; Santos, Iago Almeida; Santana Silveira, Paulo Henrique; Reis, Mariane Mares; Santos, Isabella Porto; Ricardo, Luccas de Oliveira Negrao; Lima, Brenda Oliveira; D’Orleans Farias Marinho, Patrick; Soares, Ananda Brito; Silva Bastos Andrade, Leonardo Oliveira; Brasileiro Pessoa, Stela Mares; Leles Silva, Marlon Mario; Oliveira, Milena Cardoso; Pinheiro da Silva, Jamile; Moura, Mariana Araujo; Cruz, Mariluze Peixoto; Marques, Lucas Miranda; Santos, Tiza Teles; Pires, Polyane Novais; Teixeira Dias, Joao Carlos; Rezende, Rachel Passos; Trovatti Uetanabaro, Ana Paula; Yatsuda, Regiane published the artcile< Antimicrobial activity of Lactobacillus fermentum TcUESC01 against Streptococcus mutans UA159>, Application In Synthesis of 112-63-0, the main research area is Lactobacillus fermentum Streptococcus mutans antimicrobial activity; Antimicrobial; Dental caries; Lactobacillusfermentum; Metabolites; Probiotics; Streptococcus mutans.

Dental caries is a multifactorial chronic-infection disease, which starts with a bacterial biofilm formation caused mainly by Streptococcus mutans. The use of probiotics has shown numerous health benefits, including in the fight against oral diseases. Strains of Lactobacillus fermentum have already shown probiotic potential against S. mutans, but there are still few studies. Thus, the aim of our study was to evaluate the antimicrobial activity of the inoculum and metabolites produced by L. fermentum TcUESC01 against S. mutans UA159. For this, a growth curve of L. fermentum was performed and both the inoculum and the metabolites formed in the fermentation were tested against the growth of S. mutans UA159 in agar diffusion tests, and only its metabolites were tested to determine the min. inhibitory concentration, minimal bactericidal concentration and inhibition of cell adhesion. Inhibition of biofilm formation, pH drop and proton permeability were also tested with the metabolites. The zone of inhibition began to be formed at 14 h and continued until 16 h. The inoculum containing L. fermentum also showed zone of inhibition. The MIC for the metabolites was 1280 mg/mL and the MBC was obtained with a concentration higher than the MIC equal to 5120 mg/mL. Half of the MIC concentration (640 mg/mL) was required to inhibit S. mutans adhesion to the surface of the microplates. In the biofilm analyzes, the treatment with the metabolites in the tested concentration was not able to reduce biomass, insoluble glucans and alkali soluble compared to the control biofilm (p > 0.05). The metabolites also did not affect acid production and acid tolerance of S. mutans cells in biofilms compared to saline group (p > 0.05). Lactic acid (50.38%) was the most abundant organic acid produced by L. fermentum. This is the first report showing that the metabolites produced by the Lactobacillus fermentum TcUESC01 have a potential to be used as an antimicrobial agent against S. mutans, showing anti-adherence and bactericidal activity against planktonic cells of S. mutans. Thus, further studies should be carried out in order to better understand the antimicrobial activity of metabolites of L. fermentum TCUESC01.

Microbial Pathogenesis published new progress about Antimicrobial agents. 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

Hu, Yang; Liu, Lei; Shan, Li-peng; Chen, Jiong published the artcile< Natural ingredient paeoniflorin could be a lead compound against white spot syndrome virus infection in Litopenaeus vannamei>, Application of C19H34O2, the main research area is paeoniflorin antiviral agent white spot virus infection; WSSV; antiviral; natural ingredient; paeoniflorin.

White spot syndrome virus (WSSV) is an important pathogen causing high mortality in the shrimp industry in aquaculture, yet there is no treatment available to date. In order to find a treatment against WSSV infection, this study examined the anti-WSSV activity of eight natural compounds using shrimp larvae as a model. Among the eight compounds, paeoniflorin showed the most obvious anti-WSSV effect, with a maximum protection efficiency of WSSV-infected shrimp >60% at 100μM. Furthermore, pretreatment and post-treatment experiments revealed that paeoniflorin could prevent and treat WSSV infection in shrimp. The antiviral activity of paeoniflorin in aquaculture water decreased rapidly with time, and the results showed that the stable anti-WSSV activity of paeoniflorin could only remain in water for 1 day. Thus, the dosing pattern of continuous medication changes was evaluated. Obviously, in the model of continuous change of paeoniflorin, WSSV copy numbers in the virus-treated shrimp group still progressively increased, while the virus content in WSSVpaeoniflorin-treated group continued to decrease. Interestingly, paeoniflorin inhibited horizontal transmission of WSSV to a certain extent. Notably, paeoniflorin significantly increased the expression of antimicrobial peptides of shrimp to resist WSSV. In conclusion, paeoniflorin has the potential to protect shrimp against WSSV.

Journal of Fish Diseases published new progress about Animal gene Role: BSU (Biological Study, Unclassified), PRP (Properties), BIOL (Biological Study) (ALF1). 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