Tag: 200-300

Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity was written by Eric, Slavica;Ke, Song;Barata, Teresa;Solmajer, Tom;Antic Stankovic, Jelena;Juranic, Zorica;Savic, Vladimir;Zloh, Mire. And the article was included in Bioorganic & Medicinal Chemistry in 2012.Product Details of 562085-85-2 The following contents are mentioned in the article:

A set of 16 previously synthesized aryl-aminopyridine and aryl-aminoquinoline derivatives have been evaluated for cytotoxic activity against three cancer cell lines (human cervical cancer-HeLa; human chronic myeloid leukemia-K562; human melanoma-Fem-x) and two types of normal peripheral blood mononuclear cells, with and without phytohemagglutinin (PBMC – PHA; PBMC + PHA). Twelve of the studied compounds showed moderate cytotoxicity, with selectivity against K562 but not the remaining two cancer cell lines. Four compounds were not active in cytotoxicity assays, presumably due to high predicted lipophilicity and low solubility To rationalize the observed cytotoxic effects, structure-based virtual screening was carried out against a pool of potential targets constructed using the inverse docking program Tarfisdock and bibliog. references The putative targets were identified on the basis of the best correlation between docking scores and in vitro cytotoxicity. It is proposed that the mechanism of action of the studied aminopyridines involves the disruption of signaling pathways and cancer cell cycle through the inhibition of cyclin-dependent kinases and several tyrosine kinases, namely Bcr-Abl kinase and KIT receptor kinase. The obtained results can guide further structural modifications of the studied compounds aimed at developing selective agents targeting proteins involved in cancer cell survival and proliferation. This study involved multiple reactions and reactants, such as N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2Product Details of 562085-85-2).

N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Product Details of 562085-85-2

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Identification of new antiviral agents against Kaposi’s sarcoma-associated herpesvirus (KSHV) by high-throughput drug screening reveals the role of histamine-related signaling in promoting viral lytic reactivation was written by Chen, Jungang;Dai, Lu;Goldstein, Alana;Zhang, Haiwei;Tang, Wei;Forrest, J. Craig;Post, Steven R.;Chen, Xulin;Qin, Zhiqiang. And the article was included in PLoS Pathogens in 2019.Recommanded Product: 103-16-2 The following contents are mentioned in the article:

In this study, we have established a high-throughput screening assay by using an inducible KSHV+ cell-line, iSLK.219. After screening a compound library that consisted of 1280 Food and Drug Administration (FDA)-approved drugs, 15 hit compounds that effectively inhibited KSHV virion production were identified, most of which have never been reported with anti-KSHV activities. Interestingly, 3 of these drugs target histamine receptors or signaling. Our data further confirmed that antagonists targeting different histamine receptors (HxRs) displayed excellent inhibitory effects on KSHV lytic replication from induced iSLK.219 or BCBL-1 cells. In contrast, histamine and specific agonists of HxRs promoted viral lytic replication from induced iSLK.219 or KSHVinfected primary cells. Mechanistic studies indicated that downstream MAPK and PI3K/Akt signaling pathways were required for histamine/receptors mediated promotion of KSHV lytic replication. Direct knockdown of HxRs in iSLK.219 cells effectively blocked viral lytic gene expression during induction. Using samples from a cohort of HIV+ patients, we found that the KSHV+ group has much higher levels of histamine in their plasma and saliva than the KSHV- group. Taken together, our data have identified new anti-KSHV agents and provided novel insights into the mol. bases of host factors that contribute to lytic replication and reactivation of this oncogenic herpesvirus. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Recommanded Product: 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Recommanded Product: 103-16-2

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Ether – Wikipedia,
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Tetrafluorophenylene-Containing Vinylbenzyl Ether-Terminated Oligo(2,6-dimethyl-1,4-phenylene ether) with Better Thermal, Dielectric, and Flame-Retardant Properties for Application in High-Frequency Communication was written by Chen, Yi-Chun;Reddy, Kamani Sudhir K.;Lin, Yu-An;Wang, Meng-Wei;Lin, Ching-Hsuan. And the article was included in ACS Omega in 2022.COA of Formula: C13H12O2 The following contents are mentioned in the article:

In an integrated circuit, signal propagation loss is proportional to the frequency, dissipation factor (D_f), and square root of dielec. constant (D_k). The loss becomes obvious as we move to high-frequency communication. Therefore, a polymer having low D_k and D_f is critical for copper-clad laminates at higher frequencies. For this purpose, a 4-vinylbenzyl ether phenoxy-2,3,5,6-tetrafluorophenylene-terminated OPE (VT-OPE) resin was synthesized and its properties were compared with the thermoset of com. OPE-2St resin. The thermoset of VT-OPE shows a higher T_g (242 vs. 229°C), a relatively high crosslinking d. (1.59 vs. 1.41 mmole cm^-3), a lower coefficient of thermal expansion (55 vs. 76 ppm/°C), better dielec. characteristic at 10 GHz (D_k values of 2.58 vs. 2.75, D_f values of 0.005 vs. 0.006), lower water absorption (0.135 vs. 0.312 weight %), and better flame retardancy (UL-94 VTM-0 vs. VTM-1 with dropping seriously) than the thermoset of OPE-2St. To verify the practicability of VT-OPE for copper-clad laminate, a laboratory process was also performed to prepare a copper-clad laminate, which shows a high peeling strength with copper foil (5.5 lb/in), high thermal reliability with a solder dipping test at 288°C (>600 s), and the time for delamination of the laminate in thermal mech. anal. (TMA) at 288°C is over 60 min. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2COA of Formula: C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.COA of Formula: C13H12O2

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Ether – Wikipedia,
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Tetrafluorophenylene-Containing Vinylbenzyl Ether-Terminated Oligo(2,6-dimethyl-1,4-phenylene ether) with Better Thermal, Dielectric, and Flame-Retardant Properties for Application in High-Frequency Communication was written by Chen, Yi-Chun;Reddy, Kamani Sudhir K.;Lin, Yu-An;Wang, Meng-Wei;Lin, Ching-Hsuan. And the article was included in ACS Omega in 2022.Safety of 4-Benzyloxyphenol The following contents are mentioned in the article:

In an integrated circuit, signal propagation loss is proportional to the frequency, dissipation factor (D_f), and square root of dielec. constant (D_k). The loss becomes obvious as we move to high-frequency communication. Therefore, a polymer having low D_k and D_f is critical for copper-clad laminates at higher frequencies. For this purpose, a 4-vinylbenzyl ether phenoxy-2,3,5,6-tetrafluorophenylene-terminated OPE (VT-OPE) resin was synthesized and its properties were compared with the thermoset of com. OPE-2St resin. The thermoset of VT-OPE shows a higher T_g (242 vs. 229°C), a relatively high crosslinking d. (1.59 vs. 1.41 mmole cm^-3), a lower coefficient of thermal expansion (55 vs. 76 ppm/°C), better dielec. characteristic at 10 GHz (D_k values of 2.58 vs. 2.75, D_f values of 0.005 vs. 0.006), lower water absorption (0.135 vs. 0.312 weight %), and better flame retardancy (UL-94 VTM-0 vs. VTM-1 with dropping seriously) than the thermoset of OPE-2St. To verify the practicability of VT-OPE for copper-clad laminate, a laboratory process was also performed to prepare a copper-clad laminate, which shows a high peeling strength with copper foil (5.5 lb/in), high thermal reliability with a solder dipping test at 288°C (>600 s), and the time for delamination of the laminate in thermal mech. anal. (TMA) at 288°C is over 60 min. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Safety of 4-Benzyloxyphenol).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Safety of 4-Benzyloxyphenol

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Mechanism Study on Depolymerization of the α-O-4 Linkage Lignin Model Compound in Supercritical Ethanol System was written by Jiang, Weikun;Wu, Shubin. And the article was included in Waste and Biomass Valorization in 2019.Computed Properties of C13H12O2 The following contents are mentioned in the article:

The aim of this study was to explore the conversion mechanism of α-O-4 linkage lignin dimer model compound (monobenzone) in supercritical ethanol. The decomposition processes of monobenzone were investigated at different reaction time (0-12 h), conversion temperature (250-310 °) and initial concentrations (0.01-0.03 g/mL). The reaction mechanism and pathways were proposed based on the distribution of products, the bond dissociation energies and the free radical theory. The results showed almost complete degradation was achieved in supercritical ethanol system. A higher temperature, a longer reaction time and a higher initial concentration significantly promoted the formation of solid residue due to the condensation reactions of the degradation intermediates/products. Based on the formation mechanism of products, the conversion products were classified into three types: (1) its own fragmentation compounds, (2) condensation compounds of its intermediates and (3) the second fragmentation compounds of its intermediates. A depolymerization reaction mechanism of monobenzone that primarily involved homolytic cleavage of the C_α-O linkage was proposed. In addition, the bibenzyl were an important and unstable intermediate product, it can continue to produce many different radical species that can participate in a variety of reaction mechanisms, resulting in complex reaction pathways and products distribution, even forming higher-mol. weight solid residue. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Computed Properties of C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Computed Properties of C13H12O2

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands was written by Laffoon, Joshua D.;Chan, Vincent S.;Fickes, Michael G.;Kotecki, Brian;Ickes, Andrew R.;Henle, Jeremy;Napolitano, Jose G.;Franczyk, Thaddeus S.;Dunn, Travis B.;Barnes, David M.;Haight, Anthony R.;Henry, Rodger F.;Shekhar, Shashank. And the article was included in ACS Catalysis in 2019.Recommanded Product: 562085-85-2 The following contents are mentioned in the article:

The authors report the use of biaryl phosphorinanes as ligands for Pd catalyzed cross-coupling reactions. A modular synthesis was developed that employs a double conjugate addition of primary biaryl phosphines into 1,1,5,5-tetraalkyl penta-1,4-diene-3-ones. Notably, this synthesis does not require the use of Cu, a known contaminant in structurally related biaryl phosphine ligands. Using the synthetic strategy described above, the authors synthesized a library of biaryl phosphorinanes, varying their substitution about P and the steric and electronic nature of the biaryl motif. The authors then benchmarked their performance as ligands in Pd-catalyzed cross coupling reactions such as aryl sulfonamidation, aryl alkoxylation, and aryl amination in the presence of soluble organic bases. In each reaction studied, many ligands outperformed biaryl phosphines known to promote the given transformation. Detailed substrate scopes were determined using high throughput screening technol. Several biaryl phosphorinanes and their corresponding Pd(II) oxidative-addition complexes were extensively characterized using NMR spectroscopy and x-ray crystallog. General observations support that biaryl phosphorinanes promote reductive elimination and form robust catalysts with Pd. In many cases the use of these biaryl phosphorinanes may be advantageous over the use of biaryl phosphines with respect to lower catalyst loadings, shorter reaction times, and robustness. This study involved multiple reactions and reactants, such as N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2Recommanded Product: 562085-85-2).

N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Recommanded Product: 562085-85-2

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Efficient hydrodeoxygenation of phenolic compounds and raw lignin-oil under a temperature-controlled phase-transfer catalysis was written by Yang, Zhi;Luo, Bowen;Shu, Riyang;Tian, Zhipeng;Kang, Yu;Chen, Ying. And the article was included in Fuel in 2021.Recommanded Product: 103-16-2 The following contents are mentioned in the article:

An effective binary catalyst by using tungstic acid (H₂WO₄) and Ru/C was employed for the hydrodeoxygenation (HDO) of phenolic compounds and raw lignin-oil. H2WO4 was presented as solid at ambient temperature, but it dissolved at high temperature above 100°C and therefore functioned as an active homogeneous catalyst. This phenomenon resulted in a temperature-controlled phase-transfer behavior in the HDO of phenolic compounds An efficient HDO performance and an exceptional reusability for guaiacol HDO were presented by this bifunctional catalyst, which can be reused more than 10 times with guaiacol conversion and cyclohexane selectivity over 90%. The comparison of traditional liquid organic and mineral acids, as well as solid acids, with H₂WO₄ confirmed the outstanding catalytic performance of H₂WO₄ and highlighted the advantages of H₂WO₄ as a homogeneous catalyst. Besides guaiacol, other phenolic compounds including various monomers and dimers all exhibited good HDO results, with 100% conversion and cycloalkanes selectivity. Moreover, the raw lignin-oil can be efficiently deoxygenated under the catalysis of this bifunctional catalyst 99.3% content of hydrocarbons was obtained in the upgraded lignin-oil, which was promising to be used as fuel directly. This catalytic system has great potential for the industrial application of lignin-oil upgrade. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Recommanded Product: 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Recommanded Product: 103-16-2

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Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Efficient hydrodeoxygenation of phenolic compounds and raw lignin-oil under a temperature-controlled phase-transfer catalysis was written by Yang, Zhi;Luo, Bowen;Shu, Riyang;Tian, Zhipeng;Kang, Yu;Chen, Ying. And the article was included in Fuel in 2021.Electric Literature of C13H12O2 The following contents are mentioned in the article:

An effective binary catalyst by using tungstic acid (H₂WO₄) and Ru/C was employed for the hydrodeoxygenation (HDO) of phenolic compounds and raw lignin-oil. H2WO4 was presented as solid at ambient temperature, but it dissolved at high temperature above 100°C and therefore functioned as an active homogeneous catalyst. This phenomenon resulted in a temperature-controlled phase-transfer behavior in the HDO of phenolic compounds An efficient HDO performance and an exceptional reusability for guaiacol HDO were presented by this bifunctional catalyst, which can be reused more than 10 times with guaiacol conversion and cyclohexane selectivity over 90%. The comparison of traditional liquid organic and mineral acids, as well as solid acids, with H₂WO₄ confirmed the outstanding catalytic performance of H₂WO₄ and highlighted the advantages of H₂WO₄ as a homogeneous catalyst. Besides guaiacol, other phenolic compounds including various monomers and dimers all exhibited good HDO results, with 100% conversion and cycloalkanes selectivity. Moreover, the raw lignin-oil can be efficiently deoxygenated under the catalysis of this bifunctional catalyst 99.3% content of hydrocarbons was obtained in the upgraded lignin-oil, which was promising to be used as fuel directly. This catalytic system has great potential for the industrial application of lignin-oil upgrade. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Electric Literature of C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Electric Literature of C13H12O2

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Ether – Wikipedia,
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Solubility of monobenzone in aqueous co-solvent mixtures of several alcohols: Determination, modelling and thermodynamic aspects analysis was written by Zhou, Yanyan;Wu, Jiaxin;Farajtabar, Ali;Wang, Jian;Zhao, Hongkun. And the article was included in Journal of Chemical Thermodynamics in 2020.Reference of 103-16-2 The following contents are mentioned in the article:

Investigation upon the solubility of monobenzone in aqueous co-solvent mixtures of isopropanol, n-propanol, ethylene glycol (EG) and ethanol was performed via a saturation shake-flask technique at temperatures from 283.15 K to 328.15 K under pressure of p = 101.2 kPa. Exptl. solubility magnitude presented pos. dependence upon the mass fraction of each co-solvent and temperature The greatest solubility value on the mole fraction scale was observed in the neat co-solvents. The equilibrated solids with corresponding co-solvent mixtures were characterized through an X-ray power diffraction (XRD) technique, demonstrating the absence of polymorphic transformation or solvate formation. The Jouyban-Acree model was adopted to math. describe the monobenzone solubility data. The maximum magnitudes of RAD and RMSD were 3.17 × 10^-2 and 7.64 × 10^-4, resp. The local mole fractions of isopropanol (n-propanol, EG or ethanol) and water adjacent monobenzone were quant. studied by the Inverse Kirkwood-Buff integrals method. The parameters of preferential solvation for the isopropanol (n-propanol, EG or ethanol) were pos. in the isopropanol (n-propanol, EG or ethanol) mixtures in intermediate and alc.-rich compositions, indicating that monobenzone was preferentially solvated by the isopropanol (n-propanol, EG or ethanol). Monobenzone mainly acted as a Lewis acid which interacted with proton-acceptor functional group of the alcs. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Reference of 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Reference of 103-16-2

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Ether – Wikipedia,
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Solubility of monobenzone in aqueous co-solvent mixtures of several alcohols: Determination, modelling and thermodynamic aspects analysis was written by Zhou, Yanyan;Wu, Jiaxin;Farajtabar, Ali;Wang, Jian;Zhao, Hongkun. And the article was included in Journal of Chemical Thermodynamics in 2020.SDS of cas: 103-16-2 The following contents are mentioned in the article:

Investigation upon the solubility of monobenzone in aqueous co-solvent mixtures of isopropanol, n-propanol, ethylene glycol (EG) and ethanol was performed via a saturation shake-flask technique at temperatures from 283.15 K to 328.15 K under pressure of p = 101.2 kPa. Exptl. solubility magnitude presented pos. dependence upon the mass fraction of each co-solvent and temperature The greatest solubility value on the mole fraction scale was observed in the neat co-solvents. The equilibrated solids with corresponding co-solvent mixtures were characterized through an X-ray power diffraction (XRD) technique, demonstrating the absence of polymorphic transformation or solvate formation. The Jouyban-Acree model was adopted to math. describe the monobenzone solubility data. The maximum magnitudes of RAD and RMSD were 3.17 × 10^-2 and 7.64 × 10^-4, resp. The local mole fractions of isopropanol (n-propanol, EG or ethanol) and water adjacent monobenzone were quant. studied by the Inverse Kirkwood-Buff integrals method. The parameters of preferential solvation for the isopropanol (n-propanol, EG or ethanol) were pos. in the isopropanol (n-propanol, EG or ethanol) mixtures in intermediate and alc.-rich compositions, indicating that monobenzone was preferentially solvated by the isopropanol (n-propanol, EG or ethanol). Monobenzone mainly acted as a Lewis acid which interacted with proton-acceptor functional group of the alcs. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2SDS of cas: 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.SDS of cas: 103-16-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem