Month: February 2023

Virtual screening of functional foods and dissecting their roles in modulating gene functions to support post COVID-19 complications was written by Afroz, Sharmin;Fairuz, Shadreen;Joty, Jahanara Alam;Uddin, Nazim Md.;Rahman, Atiar Md. And the article was included in Journal of Food Biochemistry in 2021.Application In Synthesis of Isopentyl 3-methylbutanoate This article mentions the following:

COVID-19 has become the focal point since 2019 after the outbreak of coronavirus disease. Many drugs are being tested and used to treat coronavirus infections; different kinds of vaccines are also introduced as preventive measure. Alternative therapeutics are as well incorporated into the health guidelines of some countries. This research aimed to look into the underlying mechanisms of functional foods and how they may improve the long-term post COVID-19 cardiovascular, diabetic, and respiratory complications through their bioactive compounds The potentiality of nine functional foods for post COVID-19 complications was investigated through computational approaches. A total of 266 bioactive compounds of these foods were searched via extensive literature reviewing. Three highly associated targets namely troponin I interacting kinase (TNNI3K), dipeptidyl peptidase 4 (DPP-4), and transforming growth factor beta 1 (TGF-灏?) were selected for cardiovascular, diabetes, and respiratory disorders, resp., after COVID-19 infections. Best docked compounds were further analyzed by network pharmacol. tools to explore their interactions with complication-related genes (MAPK1 and HSP90AA1 for cardiovascular, PPARG and TNF-alpha for diabetes, and AKT-1 for respiratory disorders). Seventy-one suggested compounds out of one-hundred and thirty-nine (139) docked compounds in network pharmacol. recommended 169 Gene Ontol. (GO) items and 99 Kyoto Encyclopedia of Genes and Genomes signaling pathways preferably AKT signaling pathway, MAPK signaling pathway, ACE2 receptor signaling pathway, insulin signaling pathway, and PPAR signaling pathway. Among the chosen functional foods, black cumin, fenugreek, garlic, ginger, turmeric, bitter melon, and Indian pennywort were found to modulate the actions. Results demonstrate that aforesaid functional foods have attenuating roles to manage post COVID-19 complications. Practical applications : Functional foods have been approaching a greater interest due to their medicinal uses other than gastronomic pleasure. Nine functional food resources have been used in this research for their traditional and ethnopharmacol. uses, but their directive-role in modulating the genes involved in the management of post COVID-19 complications is inadequately studied and reported. Therefore, the foods types used in this research may be prioritized to be used as functional foods for ameliorating the major post COVID-19 complications through appropriate science. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Application In Synthesis of Isopentyl 3-methylbutanoate).

Isopentyl 3-methylbutanoate (cas: 659-70-1) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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.Application In Synthesis of Isopentyl 3-methylbutanoate

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

Structure Kinetics Relationships and Molecular Dynamics Show Crucial Role for Heterocycle Leaving Group in Irreversible Diacylglycerol Lipase Inhibitors was written by Janssen, Antonius P. A.;van Hengst, Jacob M. A.;Bequignon, Olivier J. M.;Deng, Hui;van Westen, Gerard J. P.;van der Stelt, Mario. And the article was included in Journal of Medicinal Chemistry in 2019.Application of 87694-53-9 This article mentions the following:

Drug discovery programs of covalent irreversible, mechanism-based enzyme inhibitors often focus on optimization of potency as determined by IC₅₀-values in biochem. assays. These assays do not allow the characterization of the binding activity (K_i) and reactivity (k_inact) as individual kinetic parameters of the covalent inhibitors. Here, we report the development of a kinetic substrate assay to study the influence of the acidity (pK_a) of heterocyclic leaving group of triazole urea derivatives as diacylglycerol lipase (DAGL)-浼?inhibitors. Surprisingly, we found that the reactivity of the inhibitors did not correlate with the pK_a of the leaving group, whereas the position of the nitrogen atoms in the heterocyclic core determined to a large extent the binding activity of the inhibitor. This finding was confirmed and clarified by mol. dynamics simulations on the covalently bound Michaelis-Menten complex. A deeper understanding of the binding properties of covalent serine hydrolase inhibitors is expected to aid in the discovery and development of more selective covalent inhibitors. In the experiment, the researchers used many compounds, for example, (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9Application of 87694-53-9).

(S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. 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.Application of 87694-53-9

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

Water-Promoted Reaction of C₆₀Ar₅Cl Compounds with Thiophenes Delivers a Family of Multifunctional Fullerene Derivatives with Selective Antiviral Properties was written by Kraevaya, Olga A.;Bolshakova, Valeriya S.;Peregudov, Alexander S.;Chernyak, Alexander V.;Slesarenko, Nikita A.;Markov, Vitaliy Yu.;Lukonina, Natalia S.;Martynenko, Vyacheslav M.;Sinegubova, Ekaterina O.;Shestakov, Alexander F.;Zarubaev, Vladimir V.;Schols, Dominique;Troshin, Pavel A.. And the article was included in Organic Letters in 2021.Category: esters-buliding-blocks This article mentions the following:

A reaction of the fullerene derivatives C₆₀Ar₅Cl was reported, which enabled the substitution of Cl with thiophene residues and the formation of the family of C₁-sym. C₆₀ fullerene derivatives with six functional addends C₆₀Ar₅Th. The discovered reaction provided a straightforward approach to the synthesis of previously inaccessible multifunctional water-soluble fullerene derivatives, including the compounds with antiviral activity against human immunodeficiency and influenza viruses. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Category: esters-buliding-blocks).

Methyl 2-thienylacetate (cas: 19432-68-9) belongs to esters. 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 contain a carbonyl center, which gives rise to 120鎺?C閳ユ弲閳ユ彊 and O閳ユ弲閳ユ彊 angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C閳ユ彊閳ユ弲 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. Category: esters-buliding-blocks

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

Thermoreversible Cross-Linked Rubber Prepared via Melt Blending and Its Nanocomposites was written by Cantamessa, Francesco;Damonte, Giacomo;Monticelli, Orietta;Arrigo, Rossella;Fina, Alberto. And the article was included in ACS Applied Polymer Materials in 2022.Name: 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) This article mentions the following:

A covalent adaptable network based on the thermoreversible crosslinking of an ethylene-propylene rubber through Diels-Alder (DA) reaction was prepared for the first time through melt blending as an environmental-friendly alternative to traditional synthesis in organic solvents. Functionalization of the rubber with furan groups was performed in a melt blender and subsequently mixed with different amounts of bismaleimide in a microextruder. Crosslinking was confirmed by FT-IR spectroscopy and insolubility at room temperature, while its thermoreversible character was confirmed by a solubility test at 110鎺矯 and by remolding via hot-pressing. Mech. and thermomech. properties of the obtained rubbers showed potential to compete with conventionally crosslinked elastomers, with stiffness in the range 1-1.7 MPa and strain at break in the range 200-500%, while allowing recycling via a simple melt processing step. Nanocomposites based on the thermoreversible rubber were prepared with reduced graphene oxide (rGO), showing significantly increasing stiffness up to ca. 8 MPa, ~2-fold increased strength, and thermal conductivity up to ~0.5 W/(m K). Results in this paper may open for industrially viable and sustainable applications of thermoreversible elastomers. In the experiment, the researchers used many compounds, for example, 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8Name: 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)).

2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8) belongs to esters. 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. 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.Name: 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)

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

Near-Ambient-Temperature Dehydrogenative Synthesis of the Amide Bond: Mechanistic Insight and Applications was written by Kar, Sayan;Xie, Yinjun;Zhou, Quan Quan;Diskin-Posner, Yael;Ben-David, Yehoshoa;Milstein, David. And the article was included in ACS Catalysis in 2021.Recommanded Product: Isopentyl 3-methylbutanoate This article mentions the following:

The current existing methods for the amide bond synthesis via acceptorless dehydrogenative coupling of amines and alcs. all require high reaction temperatures for effective catalysis, typically involving reflux in toluene, limiting their potential practical applications. Herein, we report a system for this reaction that proceeds under mild conditions (reflux in di-Et ether, b.p. 34.6鎺矯) using ruthenium PNNH complexes. The low-temperature activity stems from the ability of Ru-PNNH complexes to activate alc. and hemiaminals at near-ambient temperatures through the assistance of the terminal N-H proton. Mechanistic studies reveal the presence of an unexpected aldehyde-bound ruthenium species during the reaction, which is also the catalytic resting state. We further utilize the low-temperature activity to synthesize several simple amide bond-containing com. available pharmaceutical drugs from the corresponding amines and alcs. via the dehydrogenative coupling method. In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Recommanded Product: Isopentyl 3-methylbutanoate).

Isopentyl 3-methylbutanoate (cas: 659-70-1) belongs to esters. 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. 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.Recommanded Product: Isopentyl 3-methylbutanoate

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

Discovery of isoxazolinone antibacterial agents. Nitrogen as a replacement for the stereogenic center found in oxazolidinone antibacterials was written by Snyder, Lawrence B.;Meng, Zhaoxing;Mate, Robert;D’Andrea, Stanley V.;Marinier, Anne;Quesnelle, Claude A.;Gill, Patrice;DenBleyker, Kenneth L.;Fung-Tomc, Joan C.;Frosco, MaryBeth;Martel, Alain;Barrett, John F.;Bronson, Joanne J.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2004.SDS of cas: 587-88-2 This article mentions the following:

A series of potential antimicrobial derivatives possessing bioisosteric replacements for the central oxazolidinone ring found in oxazolidinone antibacterials have been prepared The design concept involved replacement of the requisite sp³-hybridized stereogenic center found at the 5-position of the oxazolidinone with a nitrogen atom. The synthesis and antibacterial activity of three such ring systems, the benzisoxazolinones, e.g., I, pyrroles, e.g., II, and isoxazolinones, e.g., III, is described. In the experiment, the researchers used many compounds, for example, Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2SDS of cas: 587-88-2).

Ethyl 2-(4-fluorophenyl)acetate (cas: 587-88-2) belongs to esters. 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. 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.SDS of cas: 587-88-2

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

Fluorination of methyl 3-oxopentanoate (MOP) using difluorobis(fluoroxy)methane, BDM was written by Bailey, Wade H. III;Casteel, William J. Jr.;Syvret, Robert G.. And the article was included in Collection of Czechoslovak Chemical Communications in 2002.Name: Methyl 2-fluoro-3-oxopentanoate This article mentions the following:

Difluorobis(fluoroxy)methane, BDM, is an electrophilic fluorinating agent that is capable of effecting selective monofluorination of 1,3-dicarbonyls such as diketones and keto esters with very high regioselectivity. For example, in highly acidic anhydrous HF (AHF) solvent, fluorination of Me 3-oxopentanoate (MOP) with BDM provides Me 2-fluoro-3-oxopentanoate (MFOP) with 100% conversion and 95% selectivity. In mixtures of HF and methanol, fluorination conversions and selectivity are markedly lower. In comparison, direct fluorination of MOP with dilute F₂ typically affords a fluorinated product that is less pure, being contaminated with radical fluorination byproducts that are difficult to sep. Fluorination of MOP with dilute mixtures of BDM and F₂ is generally more selective than using dilute F₂ alone. In the experiment, the researchers used many compounds, for example, Methyl 2-fluoro-3-oxopentanoate (cas: 180287-02-9Name: Methyl 2-fluoro-3-oxopentanoate).

Methyl 2-fluoro-3-oxopentanoate (cas: 180287-02-9) belongs to esters. 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. Esters contain a carbonyl center, which gives rise to 120鎺?C閳ユ弲閳ユ彊 and O閳ユ弲閳ユ彊 angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C閳ユ彊閳ユ弲 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. Name: Methyl 2-fluoro-3-oxopentanoate

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

Regio- and enantioselective reduction of 浼?2-dioxocycloalkaneacetates with fermenting baker’s yeast. A new synthesis of (R)-(-)-hexahydromandelic acid was written by Tsuboi, Sadao;Nishiyama, Emiko;Furutani, Hiroyuki;Utaka, Masanori;Takeda, Akira. And the article was included in Journal of Organic Chemistry in 1987.Safety of Ethyl 2-oxo-2-(2-oxocyclopentyl)acetate This article mentions the following:

Reduction of 浼?2-dioxocycloalkaneacetic acid esters with fermenting baker’s yeast gives optically active (R)-浼?hydroxy-2-oxocycloalkaneacetic acid esters in 34-74% yield. Reduction of Et 浼?2-dioxocyclohexaneacetate gave Et (浼?em>R)-浼?hydroxy-2-oxocyclohexaneacetate (I) as a mixture of threo and erythro isomers (9:1) with 99% optical purity. Clemmensen reduction of I and subsequent hydrolysis gave optically pure (R)-(-)-hexahydromandelic acid. Treatment of Me (1R,5R)-浼?[6,6-dimethyl-2-oxo[3.1.1]bicycloheptan-3-yl]-浼?oxoacetate with bakers’ yeast also afforded the resp. 浼?hydroxy acetate in 32% yield. In the experiment, the researchers used many compounds, for example, Ethyl 2-oxo-2-(2-oxocyclopentyl)acetate (cas: 39163-39-8Safety of Ethyl 2-oxo-2-(2-oxocyclopentyl)acetate).

Ethyl 2-oxo-2-(2-oxocyclopentyl)acetate (cas: 39163-39-8) belongs to esters. 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 绾?valerolactone.Safety of Ethyl 2-oxo-2-(2-oxocyclopentyl)acetate

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

Flavor differences between commercial and traditional soybean paste was written by Zhang, Xiao;Wei, Jianping;Zhao, Shiyu;Jia, Hang;Guo, Chunfeng;Wang, Zhouli;Gao, Zhenpeng;Yue, Tianli;Yuan, Yahong. And the article was included in LWT–Food Science and Technology in 2021.HPLC of Formula: 868-57-5 This article mentions the following:

Fermented soybean paste is becoming popular worldwide due to its umami taste and characteristic aroma. To elucidate the relationships between the odorants and the flavor differences of com. soybean paste (CSP) and traditional soybean paste (TSP), 49 samples (13 CSP, 36 TSP) were collected and evaluated in this research. The aroma-active compounds of CSP and TSP samples were analyzed by electronic nose, gas chromatog.-olfactometry-mass spectrometry combined with aroma extract dilution anal., and the key aroma compounds were identified by calculation of the detection rates and odor activity values. Following characterization, 23 and 19 odorants were identified as key aroma compounds contributing to flavor differences in CSP and TSP samples, resp. Significant differences were observed for the acids, alcs., aldehydes, terpenes, and sulfur-containing compounds The results showed that the flavor differences of the samples were more resulted from the concentrations of the key aroma compounds rather than their compositions and those differences mainly came from the long maturation period of TSP samples and heating process of CSP samples. Further, orthogonal partial least squares discrimination anal. revealed that the key aroma compounds identified in this research could explain the flavor differences of com. and traditional soybean pastes. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5HPLC of Formula: 868-57-5).

Methyl2-methylbutyrate (cas: 868-57-5) belongs to esters. 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. 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.HPLC of Formula: 868-57-5

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

Efficient P-Chiral Biaryl Bisphosphorus Ligands for Palladium-Catalyzed Asymmetric Hydrogenation was written by Jiang, Wenhao;Zhao, Qing;Tang, Wenjun. And the article was included in Chinese Journal of Chemistry in 2018.Application In Synthesis of Ethyl 3-oxo-3-(m-tolyl)propanoate This article mentions the following:

Five structurally novel P-chiral bis(benzooxaphosphole) ligands (BABIBOPs) are developed, providing high efficiency for the 1st time in Pd-catalyzed asym. hydrogenation of 灏?aryl and 灏?alkyl substituted 灏?keto esters. With a palladium BABIBOP catalyst, chiral 灏?hydroxyl carboxylic esters are formed in excellent enantioselectivities (up to>99% ee) and yields at catalyst loading as low as 0.01 mol%. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9Application In Synthesis of Ethyl 3-oxo-3-(m-tolyl)propanoate).

Ethyl 3-oxo-3-(m-tolyl)propanoate (cas: 33166-79-9) belongs to esters. 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. 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.Application In Synthesis of Ethyl 3-oxo-3-(m-tolyl)propanoate

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