Category: esters-buliding-blocks

Tiwari, Gargi; Sharma, Dipendra; Singh, N. B. published the artcile< Electronic structure and molecular docking studies of an anti-HIV drug: stavudine>, HPLC of Formula: 112-63-0, the main research area is stavudine anti HIV electronic structure mol docking.

For anti HIV activity, Stavudine (or D4T or Zerit) is an important nucleoside reverse transcriptase inhibitor (NRTI). Mol. geometry of this compound has been optimized by DFT B3LYP/6-31G (d,p) method using Gaussian 03 software package. In order to examine global reactivity descriptors of the drug mol., Frontier orbital anal. has been carried out. Using mol. docking inhibition activity of the drug against HIV-1 reverse transcriptase (6AN2) has been investigated. Attempts have been made to elucidate the chem. and biol. properties of the drug.

Journal of Scientific & Industrial Research published new progress about Anti-HIV 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

Ma, Jun-An; Cahard, Dominique published the artcile< Screening of chiral catalysts for enantioselective electrophilic fluorination of β-keto esters>, Category: esters-buliding-blocks, the main research area is stereoselective fluorination keto ester chiral ligand.

A variety of oxygen- and nitrogen-containing chiral ligands in combination with various metals have been screened in the enantioselective electrophilic fluorination of tert.-Bu 2-oxocyclopentanecarboxylate. This study involved the use of readily available substrate, chiral ligands and electrophilic fluorinating agents. In particular, heterobimetallic Al-Li-BINOL complex led to enantiomerically enriched α-fluoro-β-keto ester in high yields and enantioselectivities ≤ 67% ee. A comparison with previously reported chiral ligands is provided.

Journal of Fluorine Chemistry published new progress about Chiral ligands Role: CAT (Catalyst Use), USES (Uses). 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

Zhu, Yi-Qiang; Tang, Hui-Tong; Zhang, Pang published the artcile< Formation of pyrrolidin-1-ylcyclopentadienes via cyclization of alkyl 2-dimethoxyacetyl- and 2-ethoxalyl-4-oxopentanoates>, Computed Properties of 60705-25-1, the main research area is pyrrolidinylcyclopentadiene preparation; cyclopentadiene pyrrolidinyl preparation; oxopentanoate cyclization; pentanoate oxo cyclization.

The cyclizations of alkyl 2-dimethoxyacetyl- and 2-ethoxalyl-4-oxopentanoates were only effected by means of pyrrolidine with the formation of appropriately substituted 1-pyrrolidin-1-ylcyclopentadienes.

Chemical Research in Chinese Universities published new progress about Cyclization. 60705-25-1 belongs to class esters-buliding-blocks, and the molecular formula is C7H12O5, Computed Properties of 60705-25-1.

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

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

Lin, Cin-Hao; Wen, Hsin-Chuan; Chiang, Cheng-Chin; Huang, Jen-Sheng; Chen, Yunching; Wang, Sheng-Kai published the artcile< Polyproline tri-helix macrocycles as nanosized scaffolds to control ligand patterns for selective protein oligomer interactions>, Electric Literature of 4098-06-0, the main research area is conformation polyproline helix macrocycle synthesis nanosized scaffold cell recognition; protein oligomer interaction glycoprotein cell surface nanomedicine; asialoglycoprotein receptor oligomer human hepatoma cell galactose pattern selectivity; solid phase peptide synthesis Click chem azide alkyne cycloaddition; peptide cyclization macrocycle conjugation glycan galactose mannose; asialoglycoprotein receptors; carbohydrate-protein interactions; molecular architecture; molecular patterns; polyproline.

Multivalent ligand-receptor interactions play essential roles in biol. recognition and signaling. As the receptor arrangement on the cell surface can alter the outcome of cell signaling and also provide spatial specificity for ligand binding, controlling the presentation of ligands has become a promising strategy to manipulate or selectively target protein receptors. The lack of adjustable universal tools to control ligand positions at the size of a few nanometers has prompted the development of polyproline tri-helix macrocycles as scaffolds to present ligands in designated patterns. Model lectin Helix pomatia agglutinin has shown selectivity toward the matching GalNAc ligand pattern matching its binding sites arrangement. The GalNAc pattern selectivity is also observed on intact asialoglycoprotein receptor oligomer on human hepatoma cells showing the pattern-selective interaction can be achieved not only on isolated protein oligomers but also the receptors arranged on the cell surface. As the scaffold design allows convenient creation of versatile ligand patterns, it can be expected as a promising tool to probe the arrangement of receptors on the cell surface and as nanomedicine to manipulate signaling or cell recognition.

Small published new progress about Agglutinins Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 4098-06-0 belongs to class esters-buliding-blocks, and the molecular formula is C12H16O7, Electric Literature of 4098-06-0.

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

Huang, Pei-Qiang; Lan, Hong-Qiao; Zheng, Xiao; Ruan, Yuan-Ping published the artcile< A Concise Asymmetric Synthesis of (2S,3S,7S)-3,7-Dimethylpentadecan-2-yl Acetate and Propionate, the Sex Pheromones of Pine Sawflies>, Formula: C6H10O5, the main research area is dimethylpentadecanyl acetate propionate asym synthesis pine sawfly sex pheromone; pentadecanyl acetate propionate dimethyl asym synthesis pine sawfly pheromone; chemoselective regioselective stereoselective ester reduction epoxidation dimethylpentadecanyl acetate propionate; epoxide opening chemoselective regioselective stereoselective dimethylpentadecanyl acetate propionate synthesis.

(2S,3S,7S)-3,7-Dimethylpentadecan-2-yl acetate (I) and its propionate analog (II) are the main sex pheromones of all Neodiprion species and Diprion similes, resp. Starting from (S)-malic acid and employing a highly chemo-, regio-, and stereoselective tandem ester reduction-epoxide formation-reductive epoxide-opening reaction protocol, an efficient total synthesis of (2S,3S,7S)-I and II is reported herein.

Journal of Organic Chemistry published new progress about Reduction. 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Formula: C6H10O5.

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