Month: November 2022

Krueger, Bastian; Ruecker, Konstantin Kimon; Wittstock, Gunther published the artcile< Redox Mediators for Faster Lithium Peroxide Oxidation in a Lithium-Oxygen Cell: A Scanning Electrochemical Microscopy Study>, Electric Literature of 112-63-0, the main research area is lithium peroxide oxidation kinetics redox mediator lithium oxygen battery.

The reoxidation of Li2O2 as a discharge product of a Li-O2 cell occurs with high overpotential at the three-phase boundary between the electron conductor of the pos. gas-diffusion electrode, the organic electrolyte, and solid Li2O2. Indirect oxidation of Li2O2 by means of redox mediators is a way to overcome the high overpotential of this reaction, decrease the formation of reactive oxygen species, and convert the entire amount of Li2O2 formed during the discharge step. The rate constants of the redox reaction between oxidized mediators and solid Li2O2 were determined for five organic redox mediators in two glyme electrolytes and two electrolytes based on ionic liquids Specifically, (2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO), 1,2,4,5-tetramethoxybenzene (TMB), 2,5-di-tert-butyl-1,4-dimethoxybenzene (DBDMB), 2,2′-bis(1,3-dithiolylidene) (TTF), and N-methylphenothiazine (MPT) were used in electrolytes based on 1-methoxy-2-(2-methoxyethoxy)ethane (diglyme) and 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane (tetraglyme) as well as in the ionic liquids 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIm]TFSI) and 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([Py1,4]TFSI). The suitability of the method was carefully evaluated. The highest rate constant was found for DBDMB in diglyme. TTF showed the lowest rate constant in all tested electrolytes. The rate constants of all mediators in ionic liquids are at least 1 order of magnitude lower than in the ether-based electrolytes although the viscosity of [EMIm]TFSI is comparable to that of tetraglyme. This must be considered when devising Li-O2 cells with such nonvolatile electrolytes.

ACS Applied Energy Materials published new progress about Battery electrolytes. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

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

Zhang, Wenguo; Zou, Xiaobin; Liu, Xiaoli; Liang, Zhu; Ge, Zhen; Luo, Yunjun published the artcile< Preparation and properties of waterborne polyurethane modified by aminoethylaminopropyl polydimethylsiloxane for fluorine-free water repellents>, Category: esters-buliding-blocks, the main research area is aminoethylaminopropyl polydimethylsiloxane modified waterborne polyurethane preparation water repellency property.

Waterborne polyurethane (WPU) prepolymers were firstly synthesized by toluene diisocynate (TDI), trimethylolpropane (TMP), polydimethylsiloxane (PDMS), N-methyldiethanolamine (N-MDEA) and glycerin monostearate (GMS). Then the prepolymers were chain-extended by aminoethylaminopropyl polydimethylsiloxane (AEAPS) to obtain fluorine-free water repellents. In this paper, the structure of AEAPS-modified waterborne polyurethane (AEWPU) was characterized, and the influence of different AEAPS contents on stability, particle size and viscosity of AEWPU, the waterproof performance, surface energy, contact-angle hysteresis and morphol. of the AEWPU films. The application properties of the fabrics finished by AEWPU, the elements distribution of the film and the finished fabric were also discussed. The optimum AEAPS content of the water repellent was 20 wt%, then the highest score of 90+ was obtained.

Progress in Organic Coatings published new progress about Absorption (water). 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

Kumar, Amit; Kumari, Neetu; Bhattacherjee, Sandeep; Venugopal, Umamageswaran; Parwez, Shahid; Siddiqi, Mohammad Imran; Krishnan, Manju Y.; Panda, Gautam published the artcile< Design, synthesis and biological evaluation of (Quinazoline 4-yloxy)acetamide and (4-oxoquinazoline-3(4H)-yl)acetamide derivatives as inhibitors of Mycobacterium tuberculosis bd oxidase>, Quality Control of 623-50-7 , the main research area is quinazolinyloxy acetamide preparation tuberculostatic SAR mol docking; oxoquinazolinyl acetamide preparation tuberculostatic SAR mol docking; (4-oxoquinazoline-3(4H)-yl)acetamide; (Quinazoline 4-yloxy)acetamide; Mycobacterium tuberculosis bd-oxidase.

A bc1 complex mutant of M. tuberculosis used to screen (Quinazoline 4-yloxy)acetamide and (4-oxoquinazoline-3(4H)-yl)acetamide derivatives against the alternate oxidase, i.e., cytochrome bd oxidase. Two mols., S-021-0601 and S-021-0607 were found to inhibit the mutant with MICs 8 and 16μM resp., compared to MICs of 128 and 256μM against the wild type M. tuberculosis. In the wild type, one of the compounds showed synergism with Q203, an inhibitor of bc1 complex, in inhibiting growth under aerobic conditions. Both compounds showed synergism with Q203 in depleting bacterial ATP and inhibiting oxygen consumption. Both the compounds at 32μM (one-fourth or one-eighth of their MICs for wild type) were bactericidal to wild type bacteria under hypoxic condition, causing ∼1.9 log10 reduction in viable counts which increased to ∼4-log10 when combined with Q203.

European Journal of Medicinal Chemistry published new progress about Acetamides Role: PAC (Pharmacological Activity), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 623-50-7 belongs to class esters-buliding-blocks, and the molecular formula is C4H8O3, Quality Control of 623-50-7 .

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

Arimoto, Hirokazu; Shimano, Toshihisa; Uemura, Daisuke published the artcile< Concise Synthesis of the Plant Growth Regulator Theobroxide>, Electric Literature of 112-63-0, the main research area is theobroxide preparation dihydrotoluene plant growth regulator; lipase resolution theobroxide preparation.

A plant growth regulator, theobroxide (I), which produces potato tubers under noninduced long-day conditions, was synthesized in four steps from dihydrotoluene.

Journal of Agricultural and Food Chemistry published new progress about Enzymic resolution. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

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

Pandey, Ganash; Das, Parthasarathi; Reddy, P. Yella published the artcile< Photoinduced electron transfer (PET) promoted oxidative activation of 1-(N-benzyl-N-methylglycyl)-(S)-prolinol: development of novel strategies towards enantioselective syntheses of α-amino acids, their N-methyl derivatives and α-hydroxy acids employing (S)-prolinol as a recyclable chiral auxiliary>, COA of Formula: C19H34O2, the main research area is amino hydroxy acid preparation enantioselective cyclization photolysis alkylation hydrolysis; prolinol chiral auxiliary preparation amino hydroxy acid.

PET activation of 1-(N-benzyl-N-methylglycyl)-(S)-prolinol (I) in dry acetonitrile, utilizing 1,4-dicyanonaphthalene (DCN) as a light-harvesting electron-acceptor and Me viologen (MV++) as an electron-transfer mediator, leads to the formation of 3-[benzyl(methyl)amino]perhydropyrrolo-[2,1-c][1,4]oxazin-4-one (II). When this photolysis is carried out in aqueous acetonitrile, exclusively 3-hydroxy-perhydropyrrolo[2,1-c][1,4]oxazin-4-one (III) is produced. The formation of II can be rationalized in terms of intramol. cyclization of the in situ generated iminium cation intermediate (IV) by the OH moiety of (S)-prolinol, while III is generated by hydrolysis of IV followed by acetalization. Nucleophilic alkylation of II and III, using Grignard reagents and allyltrimethylsilane/TiCl4, provides amides in a highly stereoselective manner. Hydrolysis of the resultant amides provides α-amino acid derivatives and α-hydroxy acids, resp., in optically active form, along with the recovered (S)-prolinol chiral auxiliary in its recyclable form.

European Journal of Organic Chemistry published new progress about Alkylation. 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

Kubota, Dai; Ishikawa, Minoru; Ishikawa, Midori; Yahata, Naokazu; Murakami, Shoichi; Fujishima, Kazuyuki; Kitakaze, Masafumi; Ajito, Keiichi published the artcile< Tricyclic pharmacophore-based molecules as novel integrin αvβ3 antagonists. Part IV: Preliminary control of αvβ3 selectivity by meta-oriented substitution>, HPLC of Formula: 77215-54-4, the main research area is piperazine piperidine based integrin antagonist preparation SAR.

To establish the in vivo efficacy of αvβ3/αIIbβ3 dual antagonists possessing a tricyclic pharmacophore, a corresponding αvβ3-selective antagonist was required as a control. We initially took two synthetic approaches to obtain αvβ3-selective antagonists based on the RGD recognition pattern or on modification of the dihedral angle between the central benzene ring and the adjacent heterocycle, but both proved unsuccessful. However, synthesis of novel antagonists with meta-substitution of the central benzene ring generated weak selectivity for αvβ3 over αIIbβ3 for the first time in the family of compounds with the tricyclic pharmacophore. Optimization of meta-oriented antagonists furnished an αvβ3-selective antagonist exhibiting inhibitory activity not only in a receptor-binding assay, but also in a cell adhesion assay.

Bioorganic & Medicinal Chemistry published new progress about Integrin αIIbβ3 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 77215-54-4 belongs to class esters-buliding-blocks, and the molecular formula is C12H24N2O4, HPLC of Formula: 77215-54-4.

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

Zurwerra, Didier; Glaus, Florian; Betschart, Leo; Schuster, Julia; Gertsch, Juerg; Ganci, Walter; Altmann, Karl-Heinz published the artcile< Total synthesis of (-)-zampanolide and structure-activity relationship studies on (-)-dactylolide derivatives>, Synthetic Route of 617-55-0, the main research area is zampanolide asym total synthesis antitumor structure activity relationship; dactylolide asym total synthesis antitumor structure activity relationship.

A new total synthesis of the marine macrolide (-)-zampanolide (I) and the structurally and stereochem. related non-natural levorotatory enantiomer (II) of (+)-dactylolide was developed. The synthesis features a high-yielding, selective intramol. Horner-Wadsworth-Emmons (HWE) reaction to close the 20-membered macrolactone ring of I and II. The β-keto phosphonate/aldehyde precursor for the ring-closure reaction was obtained by esterification of a ω-di-Et phosphono carboxylic acid fragment and a secondary alc. fragment incorporating the THP ring that is embedded in the macrocyclic core structure of I and II. THP ring formation was accomplished through a segment coupling Prins-type cyclization. Employing the same overall strategy, 13-desmethylene-II as well as the monocyclic desTHP derivatives of I and II were prepared Synthetic I inhibited human cancer cell growth in vitro with nanomolar IC50 values, while II, which lacks the diene-containing hemiaminal-linked side-chain of I, is 25- to 260-fold less active. 13-Desmethylene-II as well as the reduced versions of II and 13-desmethylene-II all showed similar cellular activity as II itself. The same activity level was attained by the monocyclic desTHP derivative of I. Oxidation of the aldehyde functionality of II gave a carboxylic acid that was converted into the corresponding N-hexyl amide. The latter showed only micromolar antiproliferative activity, thus being several 100-fold less potent than I.

Chemistry – A European Journal published new progress about Antitumor agents. 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Synthetic Route of 617-55-0.

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

Ahmad, Moghis U.; Krishna, U. Murali; Ali, Shoukath M.; Choudhury, Sreeti; Ahmad, Imran published the artcile< Synthesis of 1,3- and 1,2-diphosphatidylglycerol>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is glycerol coupling glyceride phosphite catalyst pyridinium bromide phosphatidylglycerol synthesis; phosphatidylglycerol cardiolipin glycerophospholipid phosphocholine synthesis glycerol protecting group.

A novel phosphonium salt methodol. was utilized for the first time to synthesize 1,3-, and 1,2-diphosphatidylglycerol. Optically active 1,2-di-O-acyl-sn-glyceryl phosphate was coupled with unprotected glycerol in the presence of pyridinium tribromide and triethylamine to yield, after final removal of phosphate protecting group, the title compounds The 1,2-diphosphatidylglycerol (1,2-isomer of cardiolipin) may be a member of a new class of phospholipids for industrial applications similar to other phosphocholines.

Lipids published new progress about Cardiolipins 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, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Du, Kun-ze; Cui, Yan; Chen, Shujing; Yang, Rui; Shang, Ye; Wang, Chenhong; Yan, Yiqi; Li, Jin; Chang, Yan-xu published the artcile< An integration strategy combined progressive multivariate statistics with anticoagulant activity evaluation for screening anticoagulant quality markers in Chinese patent medicine>, Synthetic Route of 112-63-0, the main research area is Chinese patent medicine screening anticoagulant quality marker multivariate statistics; FXa inhibitory activity; Multivariate statistical analysis; Naoxintong capsules; Thrombin inhibitory activity.

The cardiovascular and cerebrovascular diseases affect human health globally. Naoxintong capsules (NXTs), a famous Chinese Patent Medicine, has been especially applied to treat cerebral infarction and coronary heart disease in clin. practice. The anticoagulant activity of this prescription plays an important role in this course of treatment. Thrombin and factor Xa (FXa) are two key targets considering the anticoagulant activity. The purpose of this investigation is to screen the quanlity markers as key thrombin and FXa inhibitors for the anticoagulant activity oriented quality control of Chinese patent medicine. Simple multi-polar solvent extraction processes using various proportions of solvents were conducted and their thrombin/FXa inhibitory activities were evaluated in vitro. Bivariate correlation anal. (BCA), gray correlation anal. (GCA), and orthogonal partial least squares discriminate anal. (OPLS-DA) were adopted for screening the potential active markers related to the anticoagulant activity. The chem. structures of these active compounds were identified by UHPLC-Q-TOF-MS/MS and their thrombin/FXa inhibitory activity was determined The mol. docking technol. was applied to explore the interaction between the compounds and targets. The contribution of these anticoagulant active ingredients in NXT was also investigated. Last but not the least, the contents of these markers in NXT were determined by liquid chromatog.-electrospray ionization tandem triple quadrupole mass spectrometry (HPLC-ESI-MS/MS) method. The results showed that the NXT extract exhibited great activity against thrombin and FXa, especially extracted by 75% methanol (volume/volume). Six marker compounds with potential anticoagulant activity were screened out. Therein, four of the active compounds owing thrombin inhibitory activity (paeoniflorin, lithospermic acid, salvianolic acid B, Z-ligustilide) and five of the active compounds owing FXa inhibitory activity (3,5-dicaffeoylquinic acid, rosmarinic acid, lithospermic acid, salvianolic acid B and Z-ligustilide). In addition, these active compounds accounted for a large proportion of thrombin/FXa inhibitory activity of NXTs. The binding energy also showed the strong interaction formed by close connection of the compounds to the residues of targets. The proposed integrated stategy could be an efficient strategy to screen potential thrombin/FXa inhibitors for the bioactivity related quanlity control of Chinese patent medicine.

Journal of Ethnopharmacology published new progress about Anticoagulants. 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

Meares, Adam; Yu, Zhanqian; Viswanathan Bhagavathy, Ganga; Satraitis, Andrius; Ptaszek, Marcin published the artcile< Photoisomerization of enediynyl linker leads to slipped cofacial hydroporphyrin dyads with strong through-bond and through-space electronic interactions>, Computed Properties of 112-63-0, the main research area is cis trans photoisomerization porphyrin enediynyl conjugation.

Photoisomerization of 3,4-di(methoxycarbonyl)-enediyne linker in hydroporphyrin (chlorin or bacteriochlorin) dyads leads to thermally stable cis isomers, where macrocycles adopt a slipped cofacial mutual geometry with an edge-to-edge distance of ∼3.6 Å (determined by d. functional theory (DFT) calculations). Absorption spectra exhibit a significant splitting of the long-wavelength Qy band, which indicates a strong electronic coupling with a strength of V = ∼477 cm-1 that increases to 725 cm-1 upon metalation of hydroporphyrins. Each dyad features a broad, structureless emission band, with large Stokes shift, which is indicative of excimer formation. DFT calculations for dyads show both strong through-bond electronic coupling and through-space electronic interactions, due to the overlap of π-orbitals. Overall, geometry, electronic structure, strength of electronic interactions, and optical properties of reported dyads closely resemble those observed for photosynthetic special pairs. Dyads reported here represent a novel type of photoactive arrays with various modes of electronic interactions between chromophores. Combining through-bond and through-space coupling appears to be a viable strategy to engineer novel optical and photochem. properties in organic conjugated materials.

Journal of Organic Chemistry published new progress about Cis-trans photoisomerization. 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