Month: October 2022

Eilbracht, Peter; Acker, Michael; Haedrich, Ines published the artcile< Hydrocarbonylating cyclization of dienes. 4. Regio- and stereochemistry of the cobalt- and rhodium-catalyzed synthesis of substituted cyclopentanones>, Computed Properties of 112-63-0, the main research area is hydrocarbonylation cyclization diene regiochem stereochem; cyclopentanone; rhodium cobalt catalyst hydrocarbonylation cyclization.

Carbonylation-cyclization of 1,4-dienes was studied with a number of catalysts under a variety of conditions; in some cases kinetic control allowed formation of thermodn. unfavored stereoisomers. E.g., 1,1-divinylcyclohexane with CO-H-RCo(CO)2 (R = cyclopentadiene) gave spiro ketone I and 4-MeC6H4CMe(CH:CH2)2 with, e.g., [RhCl(COD)]2-CO-H2O-MeOH gave 85% 4:1 cyclopentanones II and III.

Chemische Berichte published new progress about Alkadienes Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Walker, James published the artcile< Contributions from the Chemical Laboratory of the University of Edinburgh. Number VII. The dissociation constants of organic acids>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is .

The dissociation constants of organic acids were estimated at constant temperatures of 25° using Edinburgh water for electrolytic purposes. Results showed that pimelic acid has a dissociation constant of 0.00342, while its alkyl derivatives, ωω’-dimethylpimelic acid, ωω’-diethylpimelic acid, ωω’-dipropylpimelic acid, ωω’-diisopropylpimelic acid, and ωω’-dibenzylpimelic acid, have dissociation constants of 0.00339, 0.00345, 0.0032, 0.0032, and 0.0048, respectively. Dimethylpentanetetracarboxylic acid, diethylpentanetetracarboxylic acid, tetramethylenemonocarboxylic acid, and α-tetramethylenedicarboxylic acid have dissociation constants of 0.37, 2.1, 0.00182, and 0.0833, respectively. The dissociation constants of tribasic acids and the alkyl hydrogen salts of bibasic acids were also calculated.

Journal of the Chemical Society, Transactions published new progress about Dissociation constant. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Lu, Qing published the artcile< Identifying molecular structural features by pattern recognition methods>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is identifying mol structural feature pattern recognition method.

Identification of mol. structural features is a central part of computational chem. It would be beneficial if pattern recognition techniques could be incorporated to facilitate the identification. Currently, the quantification of the structural dissimilarity is mainly carried out by root-mean-square-deviation (RMSD) calculations such as in mol. dynamics simulations. However, the RMSD calculation underperforms for large mols., showing the so-called “”curse of dimensionality”” problem. Also, it requires consistent ordering of atoms in two comparing structures, which needs nontrivial effort to fulfill. In this work, we propose to take advantage of the point cloud recognition using convex hulls as the basis to recognize mol. structural features. Two advantages of the method can be highlighted. First, the dimension of the input data structure is largely reduced from the number of atoms of mols. to the number of atoms of convex hulls. Therefore, the dimensionality curse problem is avoided, and the atom ordering process is saved. Second, the construction of convex hulls can be used to define new mol. descriptors, such as the contact area of mol. interactions. These new mol. descriptors have different properties from existing ones, therefore they are expected to exhibit different behaviors for certain machine learning studies. Several illustrative applications have been carried out, which provide promising results for structure-activity studies.

RSC Advances published new progress about Adsorption energy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Almeida, Leandro D.; Rocha, Ana Luiza A.; Rodrigues, Thenner S.; Robles-Azocar, Patricia A. published the artcile< Highly selective hydrogenation of levulinic acid catalyzed by Ru on TiO2-SiO2 hybrid support>, Application In Synthesis of 112-63-0, the main research area is levulinate hydrogenation ruthenium titania silica hybrid catalyst.

Levulinic acid is an important mol. of biomass and the gamma-valerolactone (GVL) is one of the most promising compound from levulinic acid. We have developed an efficient catalyst for the catalytic conversion of LA into GVL, ruthenium based catalyst in silica, titania and a silica-titania hybrid support The prepared catalysts were characterized by TEM, XRD, TPR and nitrogen adsorption anal. The results have shown higher catalytic activity of Ru/TiO2-SiO2 than Ru/TiO2 either Ru/SiO2. Herein, we report that yields higher than 90% were obtained for gamma-valerolactone from levulinic acid hydrogenation catalyzed by Ru/TiO2-SiO2 at 100°C and 20 atm of hydrogen without additives.

Catalysis Today published new progress about Hydrogenation catalysts. 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

Deng, Jiewen; Wang, Hongbin; Fu, Yongsheng; Liu, Yiqing published the artcile< Phosphate-induced activation of peracetic acid for diclofenac degradation: Kinetics, influence factors and mechanism>, HPLC of Formula: 112-63-0, the main research area is phosphate peracetic acid diclofenac oxidation degradation kinetics; Advanced oxidation process; Anion; Diclofenac; Peracetic acid; Phosphate.

Activating peroxides to produce active substances is the key to advanced oxidation processes (AOPs), but this usually requires energy or is accompanied by addnl. contaminants. In this study, diclofenac (DCF) was effectively removed by peracetic acid (PAA) in phosphate buffer (PBS). According to the results of radical scavenging experiments and ESR (EPR), hydroxyl radical (•OH) and organic radicals (i.e., CH3C(=O)OO• and CH3C(=O)O•) generated from PBS-activated PAA might be the dominant reactive species responsible for DCF degradation At neutral pH, PBS/PAA system exhibited the best degradation efficiency on Dcf. Presence of NO-3, SO2-4 and Cl- had little effect on the removal of DCF, while HCO-3 and natural organic matter (NOM) significantly inhibited DCF degradation in PBS/PAA system, resulting in the lower degradation efficiency of DCF in natural waters than that in ultrapure water. Finally, four possible degradation pathways, including hydroxylation, formylation, dehydrogenation and dechlorination, were proposed based on the detected reaction products. This study suggests that PBS used to control solution pH should be applied cautiously in PAA-based AOPs.

Chemosphere published new progress about Alkalinity. 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

Li, Gang-Jian; Pan, You-Lu; Liu, Yan-Ling; Xu, Hai-Feng; Chen, Jian-Zhong published the artcile< Direct Acyloxylation of C(sp2)-H and C(sp2)-X (X = Cl, Br) Bonds in Aromatic Amides Using Copper Bromide and 2-(4,5-Dihydro-oxazol-2-yl)-phenylamine>, Application In Synthesis of 112-63-0, the main research area is carboxylic ester amide preparation copper catalyzed acyloxylation aromatic amide; copper catalyzed ortho acyloxylation aromatic amide carboxylic acid.

Here we reported a method for Cu2+-catalyzed ortho-acyloxylation of either the C(sp2)-H or C(sp2)-X (X = Cl, Br) bond of aromatic amides with carboxylic acid, especially olefin acids, to obtain corresponding products in good yields up to 91%. The catalyst CuBr2 is cheap and stable to conserve in comparison with other metals, like Rh, Pd, Ru, and Cu+. This simple procedure is applicable for wide substrate scope and various functional groups to produce carboxylic esters without any additives or ligands.

Organic Letters published new progress about Acyloxylation. 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

Yang, Chengbin; Lu, Mingzhu; Chen, Yi; Xiang, Ruiqing; Qiu, Tianze; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli; Ling, Yun; Zhou, Yaming published the artcile< Development of anti-breast cancer PI3K inhibitors based on 7-azaindole derivatives through scaffold hopping: Design, synthesis and in vitro biological evaluation>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is breast cancer PI3K inhibitor scaffold hopping anticancer mol docking; Azaindole; PI3K inhibitor; Phosphatidylinositol 3-kinase; Scaffold hopping.

Breast cancer is the cancer with the highest incidence all over the world. Phosphatidylinositol 3-kinase is an important regulator of intracellular signaling pathways, which is frequently mutated and overexpressed in majority of human breast cancers, and the inhibition of PI3K has been considered as a promising approach for the treatment of the cancer. Here, we report our design and synthesis of new 7-azaindole derivatives as PI3K inhibitors through the scaffold hopping strategy. By varying the groups at the 3-position of 7-azaindole, we identified a series of potent PI3K inhibitors, whose antiproliferative activities against two human breast cancer MCF-7 and MDA-MB-231 cell lines were evaluated. Representative derivatives FD2054 and FD2078 showed better activity than BKM120 in antiproliferation, reduced the levels of phospho-AKT and induced cell apoptosis. All these results suggested that FD2054 and FD2078 are potent PI3K inhibitors that could be considered as potential candidates for the development of anticancer agents.

Bioorganic Chemistry published new progress about Antiproliferative agents. 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

Tolmachova, Kateryna A.; Farnung, Jakob; Liang, Jin Rui; Corn, Jacob E.; Bode, Jeffrey W. published the artcile< Facile preparation of UFMylation activity-based probes by chemoselective installation of electrophiles at the C-terminus of recombinant UFM1>, Synthetic Route of 112-63-0, the main research area is ubiquitin fold modifier UFM1 UFMylation activity based probe crosslinking.

Aberrations in protein modification with ubiquitin-fold modifier (UFM1) are associated with a range of diseases, but the biol. function and regulation of this post-translational modification, known as UFMylation, remain enigmatic. To provide activity-based probes for UFMylation, we have developed a new method for the installation of electrophilic warheads at the C-terminus of recombinant UFM1. A C-terminal UFM1 acyl hydrazide was readily produced by selective intein cleavage and chemoselectively acylated by a variety of carboxylic acid anhydrides at pH 3, without detriment to the folded protein or reactions at unprotected amino acid side chains. The resulting UFM1 activity-based probes show a range of tunable reactivity and high selectivity for proteins involved in UFMylation processes; structurally related E1s, E2s, and proteases associated with Ub or other Ubls were unreactive. The UFM1 probes were active both in cell lysates and in living cells. A previously inaccessible α-chloroacetyl probe was remarkably selective for covalent modification of the active-site cysteine of de-UFMylase UFSP2 in cellulo.

ACS Central Science published new progress about Crosslinking agents. 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

Tjandra, Kristel C.; Forest, Chelsea R.; Wong, Chin Ken; Alcantara, Sheilajen; Kelly, Hannah G.; Ju, Yi; Stenzel, Martina H.; McCarroll, Joshua A.; Kavallaris, Maria; Caruso, Frank; Kent, Stephen J.; Thordarson, Pall published the artcile< Modulating the Selectivity and Stealth Properties of Ellipsoidal Polymersomes through a Multivalent Peptide Ligand Display>, SDS of cas: 71195-85-2, the main research area is medulloblastoma polymersome peptide ligand display; cancer drug delivery; multivalency; nanomedicines; peptides; polymeric nanoparticles; targeting ligands.

There is a need for improved nanomaterials to simultaneously target cancer cells and avoid non-specific clearance by phagocytes. An ellipsoidal polymersome system is developed with a unique tunable size and shape property. These particles are functionalized with inhouse phage-display cell-targeting peptide to target a medulloblastoma cell line in vitro. Particle association with medulloblastoma cells is modulated by tuning the peptide ligand d. on the particles. These polymersomes has low levels of association with primary human blood phagocytes. The stealth properties of the polymersomes are further improved by including the peptide targeting moiety, an effect that is likely driven by the peptide protecting the particles from binding blood plasma proteins. Overall, this ellipsoidal polymersome system provides a promising platform to explore tumor cell targeting in vivo.

Advanced Healthcare Materials published new progress about B cell. 71195-85-2 belongs to class esters-buliding-blocks, and the molecular formula is C9H3F5O2, SDS of cas: 71195-85-2.

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

Birault, Albane; Giret, Simon; Theron, Christophe; Gallud, Audrey; Da Silva, Afitz; Durand, Denis; Nguyen, Christophe; Bettache, Nadir; Gary-Bobo, Magali; Bartlett, John R.; Man, Michel Wong Chi; Carcel, Carole published the artcile< Sequential delivery of synergistic drugs by silica nanocarriers for enhanced tumour treatment>, SDS of cas: 112-63-0, the main research area is synergistic antitumor combination drug silica nanocarrier cap.

Herein hybrid silica nanoparticles have been engineered to direct the sequential delivery of multiple chemotherapeutic drugs in response to external stimuli such as variations in pH. The nanocarriers consist of conventional MCM-41-type nanoparticles, which have been functionalised with an organic ligand (or stalk) grafted onto the external surface. The stalk is designed to “”recognize”” a complementary mol., which serves as a “”cap”” to block the pores of the nanoparticles. First, camptothecin is introduced into the pores by diffusion prior to capping the pore apertures via mol. recognition. The cap, which is a derivative of 5-fluorouracil, serves as a second cytotoxic drug for synergistic chemotherapy. In vitro tests revealed that negligible release of the drugs occurred at pH 7.4, thus avoiding toxic side effects in the blood stream. In contrast, the stalk/cap complex is destabilized within the endolysosomal compartment (pH 5.5) of cancer cells, where release of the drugs was demonstrated. Furthermore, this environmentally responsive system exhibited a synergistic effect of the two drugs, where the pH-triggered release of the cytotoxic cap followed by diffusion-controlled release of the drug cargo within the pores led to essentially complete elimination of breast cancer cells.

Journal of Materials Chemistry B: Materials for Biology and Medicine published new progress about Antitumor agents. 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