Tag: M.W=250-300

Cullen, William; Turega, Simon; Hunter, Christopher A.; Ward, Michael D. published the artcile< Virtual screening for high affinity guests for synthetic supramolecular receptors>, Related Products of 112-63-0, the main research area is supramol receptor guest binding constant GOLD docking software.

The protein/ligand docking software GOLD, which was originally developed for drug discovery, has been used in a virtual screen to identify small mols. that bind with extremely high affinities (K ≈ 107 M-1) in the cavity of a cubic coordination cage in water. A scoring function was developed using known guests as a training set and modified by introducing an addnl. term to take account of loss of guest flexibility on binding. This scoring function was then used in GOLD to successfully identify 15 new guests and accurately predict the binding constants This approach provides a powerful predictive tool for virtual screening of large compound libraries to identify new guests for synthetic hosts, thereby greatly simplifying and accelerating the process of identifying guests by removing the reliance on exptl. trial-and-error.

Chemical Science published new progress about Formation constant. 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

Xu, Congjun; Han, Yufei; Xu, Sicong; Wang, Ruxin; Yue, Ming; Tian, Yu; Li, Xiaofan; Zhao, Yanfang; Gong, Ping published the artcile< Design, synthesis and biological evaluation of new Axl kinase inhibitors containing 1,3,4-oxadiazole acetamide moiety as novel linker>, Product Details of C19H34O2, the main research area is oxadiazole acetamide preparation SAR antitumor mol docking; 1,3,4-Oxadiazole; Axl; Drug resistance; EGFR; Isosteresis.

Using the principle of bioisosteric replacement, a structure-based design approach to obtain new Axl kinase inhibitors with significant activity at the kinase and cellular levels was presented. Through a stepwise structure-activity relationships exploration, a series of 6,7-disubstituted quinoline derivatives, which contain 1,3,4-oxadiazol acetamide moiety I (R1 = Me, 3-(4-methylpiperidin-1-yl)propyl; Het = 1,3,4-oxadiazol-2,5-diyl, 1,3-oxazol-2,5-diyl, 1,2,4-oxadiazol-3,5-diyl, 1,2-oxazol-3,5-di-yl; R2 = H, F), II (R3 = H, Me; R4 = H, Me, Et; R3R4 = -(CH2)2-; R5 = 4-methylpiperidin-1-yl, morpholin-4-yl, 4-methylpiperazin-1-yl, pyrrolidin-1-yl, piperidin-1-yl) as novel Linker, were ultimately synthesized with Axl as the primary target. Most of them exhibited moderate to excellent activity, with IC50 values ranging from 0.032 to 1.54μM against the tested cell lines. Among them, the most promising compound II (Het = 1,3,4-oxadiazol-2,5-diyl; R3R4 = -(CH2)2-; R5 = piperidin-1-yl (A)), as an Axl kinase inhibitor (IC50 = 10 nM), shows remarkable cytotoxicity against A549, HT-29, PC-3, MCF-7, H1975 and MDA-MB-231 cell lines. More importantly, compound (A) also shows a significant inhibitory effect on EGFR-TKI resistant NSCLC cell lines H1975/gefitinib. Meanwhile, this study provides a novel type of linker for Axl kinase inhibitors, namely 1,3,4-oxadiazol acetamide moiety, which is out of the scope of the “”5- atoms role “”.

European Journal of Medicinal Chemistry published new progress about Antitumor agents. 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

Sun, Zhe; Wen, Jiating; Wang, Wenkai; Fan, Haojun; Chen, Yi; Yan, Jun; Xiang, Jun published the artcile< Polyurethane covalently modified polydimethylsiloxane (PDMS) coating with increased surface energy and re-coatability>, SDS of cas: 112-63-0, the main research area is polyurethane polydimethylsiloxane coating surface energy mech property.

In the present study, with 2-Allyloxyethanol-terminated polyurethane (AEPU) and allyloxy (polyethylenene oxide) Me ether-graft-polymethylhydrosiloxane (PMHS-g-AEM) as modifier and reactive compatibilizer resp., a type of polyurethane modified polydimethylsiloxane (PUMS) coating with increased surface energy and re-coatability was obtained via solvent-free two-component hydrosilylation reaction. The structures of as-prepared AEPU and PMHS-g-AEM were characterized by FTIR and 1H NMR, and the AEPU distribution in PUMS together with the characteristics of resultant coatings, such as dynamic wetting properties, surface roughness, surface energy and re-coatability, variation in curing behavior and mech. properties were also elaborately evaluated. From scanning electron microscope (SEM) observation, it is found that in presence of 2 wt% compatibilizer, AEPU can be distributed in PUMS uniformly. With the increase of AEPU loading, the coating surfaces show a decreased water contact angles (WCAs), increased surface roughness and enhanced surface tension from 29.4-52 mN/m as well as re-coatable feasibility. Intriguingly, curing kinetics study reveals that the conjugation of 10 weight% AEPU into two-component hydrosilylation system can significantly reduce the reaction activation energy by 43.6%. Another interesting result is that the chem. incorporation of AEPU dramatically improves elongation at break of PUMS film from 460 to 808% while well-maintains tensile strength. All aforementioned results distinctly demonstrate a feasible yet promising paradigm for modifying PDMS coating with polyurethane.

Progress in Organic Coatings published new progress about Activation energy. 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

Tsai, James; Lee, John T.; Wang, Weiru; Zhang, Jiazhong; Cho, Hanna; Mamo, Shumeye; Bremer, Ryan; Gillette, Sam; Kong, Jun; Haass, Nikolas K.; Sproesser, Katrin; Li, Ling; Smalley, Keiran S. M.; Fong, Daniel; Zhu, Yong-Liang; Marimuthu, Adhirai; Nguyen, Hoa; Lam, Billy; Liu, Jennifer; Cheung, Ivana; Rice, Julie; Suzuki, Yoshihisa; Luu, Catherine; Settachatgul, Calvin; Shellooe, Rafe; Cantwell, John; Kim, Sung-Hou; Schlessinger, Joseph; Zhang, Kam Y. J.; West, Brian L.; Powell, Ben; Habets, Gaston; Zhang, Chao; Ibrahim, Prabha N.; Hirth, Peter; Artis, Dean R.; Herlyn, Meenhard; Bollag, Gideon published the artcile< Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is PLX4720 PLX3203 preparation B Raf kinase inhibitor antitumor antimelanoma.

BRAFV600E is the most frequent oncogenic protein kinase mutation known. Furthermore, inhibitors targeting “”active”” protein kinases have demonstrated significant utility in the therapeutic repertoire against cancer. Therefore, the authors pursued the development of specific kinase inhibitors targeting B-Raf, and the V600E allele in particular. By using a structure-guided discovery approach, a potent and selective inhibitor of active B-Raf has been discovered. PLX4720, a 7-azaindole derivative that inhibits B-RafV600E with an IC50 of 13 nM, defines a class of kinase inhibitor with marked selectivity in both biochem. and cellular assays. PLX4720 preferentially inhibits the active B-RafV600E kinase compared with a broad spectrum of other kinases, and potent cytotoxic effects are also exclusive to cells bearing the V600E allele. Consistent with the high degree of selectivity, ERK phosphorylation is potently inhibited by PLX4720 in B-RafV600E-bearing tumor cell lines but not in cells lacking oncogenic B-Raf. In melanoma models, PLX4720 induces cell cycle arrest and apoptosis exclusively in B-RafV600E-pos. cells. In B-RafV600E-dependent tumor xenograft models, orally dosed PLX4720 causes significant tumor growth delays, including tumor regressions, without evidence of toxicity. The work described here represents the entire discovery process, from initial identification through structural and biol. studies in animal models to a promising therapeutic for testing in cancer patients bearing B-RafV600E-driven tumors.

Proceedings of the National Academy of Sciences of the United States of America published new progress about Antitumor agents. 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

Hys, Vasyl Y.; Milokhov, Demyd S.; Volovenko, Olesya B.; Konovalova, Irina S.; Shishkina, Svitlana V.; Volovenko, Yulian M. published the artcile< Synthetic Approach to Fused Azasultams with 1,2,4-Thiadiazepine Framework>, Synthetic Route of 112-63-0, the main research area is fused azasultam thiadiazepine preparation; azole pyrrole carboxylate sulfonamide heterocyclization.

Synthetic approach to fused azasultams with 1,2,4-thiadiazepine framework via base promoted protocols has been developed. 1H-Azole-2-carboxylates and N-(chloromethyl)-N-methylmethanesulfonamide were used as ambiphilic building blocks in the one-pot and two-step reaction sequences. Chem. behavior of the obtained azasultams in reactions with amines, hydrazine, DMFDMA, and NaBH4 was investigated. An enamino ketone derived from an azasultam was exploited in the synthesis of new pyrazole and pyrimidine heterocycles.

Synthesis published new progress about Condensation reaction (sulfa-Dieckmann). 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

Giese, B.; Kopping, B.; Gobel, T.; Dickhaut, J.; Thoma, G.; Kulicke, K. J.; Trach, F. published the artcile< Radical cyclization reactions>, COA of Formula: C19H34O2, the main research area is review Reactions; review Radical; review Cyclization.

A review of the article Radical cyclization reactions.

Organic Reactions (Hoboken, NJ, United States) published new progress about Organic synthesis. 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

Garcia-Urricelqui, Ane; de Cozar, Abel; Campano, Teresa E.; Mielgo, Antonia; Palomo, Claudio published the artcile< syn-Selective Michael Reaction of α-Branched Aryl Acetaldehydes with Nitroolefins Promoted by Squaric Amino Acid Derived Bifunctional Broensted Bases>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is stereoselective Michael aryl acetaldehyde nitroolefin bifunctional cinchona squaric peptide.

Here we describe a direct access to 2,2,3-trisubstituted syn γ-nitroaldehydes by addition of α-branched aryl acetaldehydes to nitroolefins promoted by a cinchona based squaric acid-derived amino acid peptide. Different α-Me arylacetaldehydes react with β-aromatic and β-alkyl nitroolefins to afford the Michael adducts in high enantioselectivity and syn-selectivity. NMR experiments and DFT calculations predict the reaction to occur through the intermediacy of E-enolate. The interaction between the substrates and the catalyst follows Papai’s model, wherein an intramol. H-bond interaction in the catalyst between the NH group of one of the tert-leucines and the squaramide oxygen seems to be key for discrimination of the corresponding reaction transition states. Thus, e.g., 2-phenylpropanal + (E)-4-chloro-β-nitrostyrene → I (84%, 95:5 dr, 94% ee).

European Journal of Organic Chemistry published new progress about Aldehydes Role: SPN (Synthetic Preparation), PREP (Preparation) (γ-nitro). 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

Gao, Meng; Hu, Jun; Zhu, Yuejie; Wang, Xianqing; Zeng, Shumin; Hong, Yijiang; Zhao, Guang published the artcile< Ferroptosis and Apoptosis Are Involved in the Formation of L-Selenomethionine-Induced Ocular Defects in Zebrafish Embryos>, Application of C15H22N2O2, the main research area is Zebrafish embryos ferroptosis apoptosis selenomethionine; L-selenomethionine; ROS; apoptosis; ferroptosis; microphthalmia.

Selenium is an essential trace element for humans and other vertebrates, playing an important role in antioxidant defense, neurobiol. and reproduction However, the toxicity of excessive selenium has not been thoroughly evaluated, especially for the visual system of vertebrates. In this study, fertilized zebrafish embryos were treated with 0.5μM L-selenomethionine to investigate how excessive selenium alters zebrafish eye development. Selenium-stressed zebrafish embryos showed microphthalmia and altered expression of genes required for retinal neurogenesis. Moreover, ectopic proliferation, disrupted mitochondrial morphol., elevated ROS-induced oxidative stress, apoptosis and ferroptosis were observed in selenium-stressed embryos. Two antioxidants-reduced glutathione (GSH) and N-acetylcysteine (NAC)-and the ferroptosis inhibitor ferrostatin (Fer-1) were unable to rescue selenium-induced eye defects, but the ferroptosis and apoptosis activator cisplatin (CDDP) was able to improve microphthalmia and the expression of retina-specific genes in selenium-stressed embryos. In summary, our results reveal that ferroptosis and apoptosis might play a key role in selenium-induced defects of embryonic eye development. The findings not only provide new insights into selenium-induced cellular damage and death, but also important implications for studying the association between excessive selenium and ocular diseases in the future.

International Journal of Molecular Sciences published new progress about Antioxidants. 347174-05-4 belongs to class esters-buliding-blocks, and the molecular formula is C15H22N2O2, Application of C15H22N2O2.

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

Ghanbari Moheb Seraj, Rahele; Tohidfar, Masoud; Azimzadeh Irani, Maryam; Esmaeilzadeh-Salestani, Keyvan; Moradian, Toktam; Ahmadikhah, Asadollah; Behnamian, Mahdi published the artcile< Metabolomics analysis of milk thistle lipids to identify drought-tolerant genes>, HPLC of Formula: 112-63-0, the main research area is Silybum metabolomics lipids drought stress FATA2 CYP86A1 PXG3.

Milk thistle is an oil and medicinal crop known as an alternative oil crop with a high level of unsaturated fatty acids, which makes it a favorable edible oil for use in food production To evaluate the importance of Milk thistle lipids in drought tolerance, an experiment was performed in field conditions under three different water deficit levels (Field capacity (FC), 70% FC and 40% FC). After harvesting seeds of the plant, their oily and methanolic extracts were isolated, and subsequently, types and amounts of lipids were measured using GC-MS. Genes and enzymes engaged in biosynthesizing of these lipids were identified and their expression in Arabidopsis was investigated under similar conditions. The results showed that content of almost all measured lipids of milk thistle decreased under severe drought stress, but genes (belonged to Arabidopsis), which were involved in their biosynthetic pathway showed different expression patterns. Genes biosynthesizing lipids, which had significant amounts were selected and their gene and metabolic network were established. Two networks were correlated, and for each pathway, their lipids and resp. biosynthesizing genes were grouped together. Four up-regulated genes including PXG3, LOX2, CYP710A1, PAL and 4 down-regulated genes including FATA2, CYP86A1, LACS3, PLA2-ALPHA were selected. The expression of these eight genes in milk thistle was similar to Arabidopsis under drought stress. Thus, PXG3, PAL, LOX2 and CYP86A1 genes that increased expression were selected for protein anal. Due to the lack of protein structure of these genes in the milk thistle, modeling homol. was performed for them. The results of mol. docking showed that the four proteins CYP86A1, LOX2, PAL and PXG3 bind to ligands HEM, 11O, ACT and LIG, resp. HEM ligand was involved in production of secondary metabolites and dehydration tolerance, and HEM binding site remained conserved in various plants. CA ligands were involved in synthesis of cuticles and waxes. Overall, this study confirmed the importance of lipids in drought stress tolerance in milk thistle.

Scientific Reports published new progress about Arabidopsis thaliana. 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

Pang, Xinlong; Chen, Chao; Su, Xiang; Li, Ming; Wen, Lirong published the artcile< Diverse Tandem Cyclization Reactions of o-Cyanoanilines and Diaryliodonium Salts with Copper Catalyst for the Construction of Quinazolinimine and Acridine Scaffolds>, Application In Synthesis of 112-63-0, the main research area is cyanoaniline diaryliodonium salt copper cyclization catalyst; quinazolinimine preparation; diaryliodonium salt cyanoaniline copper intramol electrophilic substitution catalyst; acridine preparation.

Two cyclization modes are realized to produce different nitrogen-containing heterocycles, i.e., quinazolin-4(3H)-imines, e.g., I, and acridines, e.g., II, by assembling o-cyanoanilines and diaryliodonium salts via tandem reaction pathways.

Organic Letters published new progress about Acridines Role: SPN (Synthetic Preparation), PREP (Preparation). 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