Tag: 200-300

Anti-enteroviral activity of new MDL-860 analogues: synthesis, in vitro/in vivo studies and QSAR analysis was written by Nikolova, Ivanka;Slavchev, Ivaylo;Ravutsov, Martin;Dangalov, Miroslav;Nikolova, Yana;Zagranyarska, Irena;Stoyanova, Adelina;Nikolova, Nadya;Mukova, Lucia;Grozdanov, Petar;Nikolova, Rosica;Shivachev, Boris;Kuz’min, Victor E.;Ognichenko, Liudmila N.;Galabov, Angel S.;Dobrikov, Georgi M.. And the article was included in Bioorganic Chemistry in 2019.HPLC of Formula: 103-16-2 The following contents are mentioned in the article:

A series of 60 nitrobenzonitrile analogs of the anti-viral agent MDL-860 were synthesized (50 of which are new) and evaluated for their activity against three types of enteroviruses (coxsackievirus B1, coxsackievirus B3 and poliovirus 1). Among them, six diaryl ethers (20e, 27e, 28e, 29e, 33e and 35e) demonstrated high in vitro activity (SI > 50) towards at least one of the tested viruses and very low cytotoxicity against human cells. Compound 27e, 2-(2,5-difluorophenoxy)-5-nitrobenzonitrile(I), possesses the broadest spectrum of activity towards all tested viruses in the same way as MDL-860 does. The most active derivatives (I), 29e 2-(2-chloro-5-fluorophenoxy)-5-nitrobenzonitrile (II) and 35e 2-(3,4-Dibromophenoxy)-5-nitrobenzonitrile(III) against coxsackievirus B1 were tested in vivo in newborn mice exptl. infected with 20 MLD₅₀ of coxsackievirus B1. II showed promising in vivo activity (protection index 26% and 4 days lengthening of mean survival time). QSAR anal. of the substituent effects on the in vitro cytotoxicity (CC₅₀) and anti-viral activity of the nitrobenzonitrile derivatives was carried out and adequate QSAR models for the anti-viral activity of the compounds against poliovirus 1 and coxsackievirus B1 were constructed. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2HPLC of Formula: 103-16-2).

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. 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.HPLC of Formula: 103-16-2

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

Subcritical water extraction of antioxidants from Curculigo latifolia root was written by Zabidi, Nur Athirah;Ishak, Nur Akmal;Hamid, Muhajir;Ashari, Siti Efliza. And the article was included in Journal of Chemistry in 2019.Recommanded Product: 4-Benzyloxyphenol The following contents are mentioned in the article:

This study aims to extract antioxidant compounds from Curculigo latifolia root by subcritical water extraction (SWE). +e influence of extraction temperature and time on the antioxidant activity of C. latifolia root extract was investigated in terms of extraction yield, total phenolic content (TPC), total flavonoid content (TFC), 2, 2-azino-bis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS), and 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical. +e highest extraction yield (36.5%), TPC (92.55 mg GAE/g), TFC (13.26 mg RE/g), and antioxidant activities by ABTS (66.8 mg trolox equivalent/g sample) and DPPH (128.7 mg trolox equivalent/g sample) were detected at 180°C and 30 min extraction time. Based on the results, the optimum condition was selected at 180°C and 30 min of extraction +e sample was screened by using liquid chromatog.-mass spectrometry (LC-MS) anal. where the phenolic compounds detected were structured based on their [M-H]-peak. +e detected phenolic compounds were monobenzone, hydroquinone, phloridzin, pomiferin, mundulone, scandenin, and di-Me caffeic acid. According to these findings, SWE is a promising, environmentally friendly, and efficient technol. in the exploitation of natural products for the development of food and nutraceutical commodities. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Recommanded Product: 4-Benzyloxyphenol).

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. 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: 4-Benzyloxyphenol

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

Virtual screening and drug repurposing experiments to identify potential novel selective MAO-B inhibitors for Parkinson’s disease treatment was written by Crisan, Luminita;Istrate, Daniela;Bora, Alina;Pacureanu, Liliana. And the article was included in Molecular Diversity in 2021.Related Products of 103-16-2 The following contents are mentioned in the article:

The main study’s purpose is to detect novel natural products (NPs) that are potentially selective MAO-B inhibitors and, addnl., to computationally reposition the marketed drugs with a new therapeutic role for Parkinson’s disease. To reach the goals, 3D similarity search, docking, ADMETox, and drug repurposing approaches were employed. Thus, an unbiased benchmarking dataset was built including selective and nonselective inhibitors for MAO-B compliant with both ligand- and structure-based virtual screening approaches. A retrospective and prospective mining scenario was applied to SPECS NP and DrugBank databases to detect novel scaffolds with potential benefits for Parkinson’s disease patients. Out of the three best selected natural products, cardamomin showed excellently predicted drug-like properties, superior pharmacol. profile, and specific interactions with MAO-B active site, indicating a potential selectivity over MAO-B. Two marketed drugs, fenamisal and monobenzone, were proposed as promising candidates repurposed for Parkinson’s disease. The application of shape, physicochem., and electrostatic similarity searches protocol emerged as a plausible solution to explore MAO-B inhibitors selectivity. This protocol might serve as a rewarding tool in early drug discovery and can be extended to other protein targets. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Related Products of 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) 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. 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.Related Products of 103-16-2

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

One-Pot Conversion of Lignin into Naphthenes Catalyzed by a Heterogeneous Rhenium Oxide-Modified Iridium Compound was written by Li, Xinxin;Zhang, Bo;Pan, Xiaoli;Ji, Jianwei;Ren, Yujing;Wang, Hua;Ji, Na;Liu, Qiying;Li, Changzhi. And the article was included in ChemSusChem in 2020.Product Details of 103-16-2 The following contents are mentioned in the article:

The direct transformation of lignin into fuels and chems. remains a huge challenge because of the recalcitrant and complicated structure of lignin. In this study, rhenium oxide-modified iridium supported on SiO₂ (Ir-ReO_x/SiO₂) is employed for the one-pot conversion of various lignin model compounds and lignin feedstocks into naphthenes. Up to 100% yield of cyclohexane from model compounds and 44.3% yield of naphthenes from lignin feedstocks are achieved. 2 D HSQC NMR spectroscopy before and after the reaction confirms the activity of Ir-ReO_x/SiO₂ in the cleavage of the C-O bonds and hydrodeoxygenation of the depolymerized products. H₂ temperature-programmed reduction, temperature-programmed desorption of NH₃, IR spectroscopy of pyridine adsorption, XPS, X-ray absorption fine structure anal., and control experiments reveal that a synergistic effect between Ir and ReO_x in Ir-ReO_x/SiO₂ plays a crucial role in the high performance; ReO_x is mainly responsible for the cleavage of C-O bonds, whereas Ir is responsible for hydrodeoxygenation and saturation of the benzene rings. This methodol. opens up an energy-efficient route for the direct conversion of lignin into valuable naphthenes. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Product Details of 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.Product Details of 103-16-2

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

One-Pot Conversion of Lignin into Naphthenes Catalyzed by a Heterogeneous Rhenium Oxide-Modified Iridium Compound was written by Li, Xinxin;Zhang, Bo;Pan, Xiaoli;Ji, Jianwei;Ren, Yujing;Wang, Hua;Ji, Na;Liu, Qiying;Li, Changzhi. And the article was included in ChemSusChem in 2020.Safety of 4-Benzyloxyphenol The following contents are mentioned in the article:

The direct transformation of lignin into fuels and chems. remains a huge challenge because of the recalcitrant and complicated structure of lignin. In this study, rhenium oxide-modified iridium supported on SiO₂ (Ir-ReO_x/SiO₂) is employed for the one-pot conversion of various lignin model compounds and lignin feedstocks into naphthenes. Up to 100% yield of cyclohexane from model compounds and 44.3% yield of naphthenes from lignin feedstocks are achieved. 2 D HSQC NMR spectroscopy before and after the reaction confirms the activity of Ir-ReO_x/SiO₂ in the cleavage of the C-O bonds and hydrodeoxygenation of the depolymerized products. H₂ temperature-programmed reduction, temperature-programmed desorption of NH₃, IR spectroscopy of pyridine adsorption, XPS, X-ray absorption fine structure anal., and control experiments reveal that a synergistic effect between Ir and ReO_x in Ir-ReO_x/SiO₂ plays a crucial role in the high performance; ReO_x is mainly responsible for the cleavage of C-O bonds, whereas Ir is responsible for hydrodeoxygenation and saturation of the benzene rings. This methodol. opens up an energy-efficient route for the direct conversion of lignin into valuable naphthenes. 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. 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. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Safety of 4-Benzyloxyphenol

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

Environmental risks related to organic compounds from the combustion of paper briquettes in domestic boilers was written by Ruzickova, Jana;Raclavska, Helena;Safar, Michal;Kucbel, Marek;Svedova, Barbora;Raclavsky, Konstantin;Juchelkova, Dagmar;Scala, Fabrizio;Kantor, Pavel. And the article was included in Journal of Hazardous Materials in 2021.Formula: C13H12O2 The following contents are mentioned in the article:

Environmental risks connected with the combustion of paper/cardboard briquettes are still not sufficiently known. This paper aims to bring attention to the risks related to the utilization of paper briquettes in local boilers and to characterize these risks by means of the identification of organic compounds in deposits from exhaust flues. The identification of the chem. compounds was performed by pyrolysis gas chromatog. with mass spectrometric detection. Paper/cardboard briquettes contain 119 compounds of biogenic origin derived from major biomass components and 53 additives. Additives are used both for improving the properties of paper and in printing inks. By burning the paper briquettes, the same 53 compounds from the additive group were caught in the deposits from the flue gas pathway, occurring in the range of 1-10% of the concentration of individual compounds (additives) contained in the input fuel. Compounds that are very stable during the combustion process have an enrichment factor (EF) > 30, which corresponded to approx. 3% of the additive capture in deposits. The highest values were found for plasticisers (phthalates). Many of the primary organic compounds contained in the input raw material do not decompose during combustion and can have adverse effects on human health. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Formula: C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) 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, including apples, durians, pears, bananas, pineapples, and strawberries. 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.Formula: C13H12O2

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

Environmental risks related to organic compounds from the combustion of paper briquettes in domestic boilers was written by Ruzickova, Jana;Raclavska, Helena;Safar, Michal;Kucbel, Marek;Svedova, Barbora;Raclavsky, Konstantin;Juchelkova, Dagmar;Scala, Fabrizio;Kantor, Pavel. And the article was included in Journal of Hazardous Materials in 2021.Electric Literature of C13H12O2 The following contents are mentioned in the article:

Environmental risks connected with the combustion of paper/cardboard briquettes are still not sufficiently known. This paper aims to bring attention to the risks related to the utilization of paper briquettes in local boilers and to characterize these risks by means of the identification of organic compounds in deposits from exhaust flues. The identification of the chem. compounds was performed by pyrolysis gas chromatog. with mass spectrometric detection. Paper/cardboard briquettes contain 119 compounds of biogenic origin derived from major biomass components and 53 additives. Additives are used both for improving the properties of paper and in printing inks. By burning the paper briquettes, the same 53 compounds from the additive group were caught in the deposits from the flue gas pathway, occurring in the range of 1-10% of the concentration of individual compounds (additives) contained in the input fuel. Compounds that are very stable during the combustion process have an enrichment factor (EF) > 30, which corresponded to approx. 3% of the additive capture in deposits. The highest values were found for plasticisers (phthalates). Many of the primary organic compounds contained in the input raw material do not decompose during combustion and can have adverse effects on human health. 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. 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, including apples, durians, pears, bananas, pineapples, and strawberries. 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.Electric Literature of C13H12O2

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

Synthesis and characterization of new bent-core liquid crystal with a ferroelectric-like switching / modified magnetite nanocomposite was written by Ozkonstanyan, Aykun;Mert, Hatice Hande;Mert, Mehmet Selcuk;Bilgin Eran, Belkiz;Ocak, Hale. And the article was included in Journal of Molecular Structure in 2020.Application of 103-16-2 The following contents are mentioned in the article:

A new bent-core liquid crystal (LC) compound 4-Cyano-1,3-phenylenebis[4-(4-(S)-2-Dodecyloxypropionyloxyphenoxycarbonyl)benzoate] (CyPDB) consisting of O-dodecyl lactate substituted terephthalate based rod-like units which were located at 1,3-positions of 4-cyanoresorcinol central unit has been synthesized and LC/1.0% modified Fe₃O₄ nanocomposite has been prepared The effects of being the doped with 1.0% modified Fe₃O₄ (magnetite) nanoparticles on mesomorphic properties of the new bent-core liquid crystal, which exhibits an enantiotropic SmA phase with a ferroelec.-like switching, were investigated by differential scanning calorimetry, optical polarizing microscopy and electro-optic studies. The surface of Fe₃O₄ (magnetite) nanoparticles was modified with a silane surfactant, octadecyltrimethoxysilane (OTMS), used as a compatibilizer for the attractive interaction of liquid crystal mol. with Fe₃O₄ nanoparticles. The size, morphol. and distribution of modified Fe₃O₄ (magnetite) nanoparticles in LC host were investigated by using Transmission Electron Microscope (TEM) and SEM (SEM). The magnetic properties of nanocomposite were studied using a vibrating-Sample Magnetometer (VSM). This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Application 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. 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.Application of 103-16-2

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

Synthesis and characterization of new bent-core liquid crystal with a ferroelectric-like switching / modified magnetite nanocomposite was written by Ozkonstanyan, Aykun;Mert, Hatice Hande;Mert, Mehmet Selcuk;Bilgin Eran, Belkiz;Ocak, Hale. And the article was included in Journal of Molecular Structure in 2020.Product Details of 103-16-2 The following contents are mentioned in the article:

A new bent-core liquid crystal (LC) compound 4-Cyano-1,3-phenylenebis[4-(4-(S)-2-Dodecyloxypropionyloxyphenoxycarbonyl)benzoate] (CyPDB) consisting of O-dodecyl lactate substituted terephthalate based rod-like units which were located at 1,3-positions of 4-cyanoresorcinol central unit has been synthesized and LC/1.0% modified Fe₃O₄ nanocomposite has been prepared The effects of being the doped with 1.0% modified Fe₃O₄ (magnetite) nanoparticles on mesomorphic properties of the new bent-core liquid crystal, which exhibits an enantiotropic SmA phase with a ferroelec.-like switching, were investigated by differential scanning calorimetry, optical polarizing microscopy and electro-optic studies. The surface of Fe₃O₄ (magnetite) nanoparticles was modified with a silane surfactant, octadecyltrimethoxysilane (OTMS), used as a compatibilizer for the attractive interaction of liquid crystal mol. with Fe₃O₄ nanoparticles. The size, morphol. and distribution of modified Fe₃O₄ (magnetite) nanoparticles in LC host were investigated by using Transmission Electron Microscope (TEM) and SEM (SEM). The magnetic properties of nanocomposite were studied using a vibrating-Sample Magnetometer (VSM). This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Product Details of 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) 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, including apples, durians, pears, bananas, pineapples, and strawberries. 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.Product Details of 103-16-2

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

Dithiols as Liquid Crystalline Building Blocks for Smart Polymers via Thiol-yne Click Chemistry was written by Lupi, Flavia;Martella, Daniele;Nocentini, Sara;Antonioli, Diego;Laus, Michele;Wiersma, Diederik S.;Parmeggiani, Camilla. And the article was included in ACS Applied Polymer Materials in 2021.Computed Properties of C13H12O2 The following contents are mentioned in the article:

Since 30 years, liquid crystalline elastomers (LCEs) have been attracting the attention of many researchers thanks to their anisotropic mol. structure which allows them to build up artificial muscles. Possible applications span from soft robotics to biomedical or tunable optical devices. The power of thiol-yne click chem. was recently demonstrated in the preparation of smart polymers, in particular LCEs, in which the mesogenic units are incorporated both in the main-chain and as pendant groups. To enrich the library of available LCE materials, in this work, several liquid crystalline dithiols and alkynes have been synthesized and copolymerized to obtain elastomers with different thermomech. properties. The architecture of the main chain was found to play a prominent role in modulating the clearing point in a range of 60°C, whereas only a minor contribution is given by the mesogens in the side chain. On the other hand, the mech. response resulted highly sensitive to fine details of the side-chain structure. Accordingly, the present study not only improves the basic understanding of the chem.-phys. properties of LCEs but paves the way to the preparation of multicomponent actuators able to deform in different temperature ranges, thus ultimately leading to complex soft robotic operations. 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. 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, including apples, durians, pears, bananas, pineapples, and strawberries. 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.Computed Properties of C13H12O2

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