Month: February 2023

5-Ethyl-5-(2-thienyl)barbituric acid was written by Blicke, F. F.;Zienty, M. F.. And the article was included in Journal of the American Chemical Society in 1941.Safety of Methyl 2-thienylacetate This article mentions the following:

5-Ethyl-5-(2-thienyl)barbituric acid (I), m. 179-80°, was prepared by the following series of reactions: 2-thienyl-magnesium bromide and solid CO₂ give 92% of 2-thiophenecarboxylic acid; SOCl₂ gives 85% of 2-thenoyl chloride; CH₂N₂ gives 2-thienyl diazomethyl ketones, m. 67-8°; Ag₂O in absolute alc. gives 68% of Et 2-thiopheneacetate, b₂₆ 124-9°; Me ester, b₂₃ 115-18°; the free acid m. 75-6° (cf. Ger. pat. 650,706, C. A. 32, 595.5); 2-thienylmethyl chloride with NaCN in 50% EtOH gives 60% of 2-thienylmethyl cyanide, b₂₂ 115-20°; hydrolysis of 5 g. gives 2 g. of 2-thiopheneacetic acid, m. 75-6°; the Et ester and (CO₂Et)₂ with EtONa, followed by pyrolysis of the Et α-ethoxalyl-2-thiopheneacetate at 155-60° and 20 mm., give 38% of di-Et 2-thienylmalonate, pale yellow, b₅ 145-8°; the Na derivative and EtBr give 64% of the Et derivative, b₅ 148-50°; refluxing with urea and Mg in absolute MeOH for 12 hrs. gives 58% of I. Preliminary results indicate that I is as active as phenobarbital. In the experiment, the researchers used many compounds, for example, Methyl 2-thienylacetate (cas: 19432-68-9Safety of Methyl 2-thienylacetate).

Methyl 2-thienylacetate (cas: 19432-68-9) 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. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Safety of Methyl 2-thienylacetate

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

Continued Exploration of Barley Genotype Contribution to Base Malt and Beer Flavor Through the Evaluation of Lines Sharing Maris Otter Parentage was written by Morrissy, Campbell P.;Fechir, Michael;Bettenhausen, Harmonie M.;Van Simaeys, Karli R.;Fisk, Scott;Hernandez, Javier;Mathias, Kyle;Benson, Amanda;Shellhammer, Thomas H.;Hayes, Patrick M.. And the article was included in Journal of the American Society of Brewing Chemists in 2022.Quality Control of Methyl2-methylbutyrate This article mentions the following:

Heirloom barley (Hordeum vulgare L.) varieties remain interesting to maltsters and brewers for their perceived unique flavor contributions to beer, despite not meeting contemporary agronomic and malting expectations. This study utilized crosses of the heirloom Maris Otter and two contemporary genotypes to determine if “updated heirlooms” could be produced that would show improved agronomics and contemporary malt quality, while contributing uniquely to malt and beer sensory and chem. profiles. Using a recently established pipeline of malting; brewing; hot steep and beer sensory; and metabolomics to evaluate barley genotype contributions to malt and beer flavor, four exptl. lines were compared to a control. The exptl. lines were also assessed for their genomic contribution from their resp. parents to further elucidate regions of the Maris Otter genome that may contribute to unique beer flavors. Results show improved agronomic outcomes relative to the heirloom parent and were comparable to the control. Malting quality met current recommendations. However, sensory properties attributable to the unique heirloom parent were not found. Further, chem. profiling did not explain the observed nuanced sensory differences, nor did it reveal unique metabolites not described by the sensory panels. Supplemental data for this article is available online at at http://doi:10.1080/03610470.2021.1952509. In the experiment, the researchers used many compounds, for example, Methyl2-methylbutyrate (cas: 868-57-5Quality Control of Methyl2-methylbutyrate).

Methyl2-methylbutyrate (cas: 868-57-5) 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.Quality Control of Methyl2-methylbutyrate

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

Expanded Poly(tetrafluoroethylene) Blood Vessel Grafts with Embedded Reactive Oxygen Species (ROS)-Responsive Antithrombogenic Drug for Elimination of Thrombosis was written by Wang, Dongfang;Xu, Yiyang;Wang, Lixia;Wang, Xiaofeng;Ren, Cuihong;Zhang, Bo;Li, Qian;Thomson, James A.;Turng, Lih-Sheng. And the article was included in ACS Applied Materials & Interfaces in 2020.SDS of cas: 118-61-6 This article mentions the following:

Treatment of cardiovascular diseases suffers from the lack of transplantable small-diameter blood vessel (SDBV) grafts that can prohibit/eliminate thrombosis. Although expanded poly(tetrafluoroethylene) (ePTFE) has the potential to be used for SDBV grafts, recurrence of thrombus remains the biggest challenge. In this study, a reactive oxygen species (ROS)-responsive antithrombogenic drug synthesis and a bulk coating process were employed to fabricate functional ePTFE grafts capable of prohibiting/eliminating blood clots. The synthesized drug that would release antiplatelet Et salicylate (ESA), in responding to ROS, was dissolved in a polycaprolactone (PCL) solution, followed by a bulk coating of the as-fabricated ePTFE grafts with the PCL/drug solution NMR spectroscopy, Fourier-transform IR (FTIR) spectroscopy, SEM, and at. force microscopy (AFM) were employed to investigate and confirm the synthesis and presence of the ROS-responsive drug in the ePTFE grafts. The ESA release functions were demonstrated via the drug-release profile and dynamic anticoagulation tests. The biocompatibility of the ROS-responsive ePTFE grafts was demonstrated via lactate dehydrogenase (LDH) cytotoxicity assays, live and dead cell assays, cell morphol., and cell-graft interactions. The ROS-responsive, antithrombogenic ePTFE grafts provide a feasible way for maintaining long-term patency, potentially solving a critical challenge in SDBV applications. In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6SDS of cas: 118-61-6).

Ethyl 2-hydroxybenzoate (cas: 118-61-6) 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.SDS of cas: 118-61-6

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

New 1,3-oxazolo[4,5-c]quinoline derivatives: Synthesis and evaluation of antibacterial and antituberculosis properties was written by Eswaran, Sumesh;Adhikari, Airody Vasudeva;Kumar, R. Ajay. And the article was included in European Journal of Medicinal Chemistry in 2010.Product Details of 16413-26-6 This article mentions the following:

A class of fused oxazoloquinoline derivatives was synthesized starting from 2-bromo-1-phenylethanones through multi-step reactions. The newly synthesized compounds were evaluated for their in vitro antibacterial against Escherichia coli (ATTC-25922), Staphylococcus aureus (ATTC-25923), Pseudomonas aeruginosa (ATCC-27853) and Klebsiella pneumoniae (recultured) and antituberculosis activity against Mycobacterium tuberculosis H37Rv (ATCC 27294). Preliminary results indicated that most of the compounds demonstrated very good antibacterial and antituberculosis activities which are comparable with the first line drugs. Six compounds, e.g., I, emerged as the lead antitubercular agents with MIC, 1 μg/mL and 99% bacterial inhibition while eight compounds, e.g., II, were found to be more potent than INH (MIC: 1.5 μg/mL) with MIC 1 μg/mL. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Product Details of 16413-26-6).

3-Cyanophenylisocyanate (cas: 16413-26-6) belongs to esters. 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.Product Details of 16413-26-6

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

Analysis of binding properties of pathogens and toxins using multivalent glycan microarrays was written by Kim, Hyoung Sub;Hyun, Ji Young;Park, Seong-Hyun;Shin, Injae. And the article was included in RSC Advances in 2018.HPLC of Formula: 4163-60-4 This article mentions the following:

Pathogens infect hosts often through initial binding of their cell surface lectins to glycans expressed on the exterior of host cells. Thus, methods to evaluate the glycan-binding properties of pathogens are of great importance. Because of the multivalent nature of interactions of pathogens with glycans, the ability to assess the glycan d.-dependent binding of pathogens is particularly important. In this study, we developed a facile technique to construct multivalent carbohydrate microarrays through immobilization of unmodified glycans on multivalent hydrazide-derivatized glass surfaces. This immobilization strategy does not require the use of multivalent glycoconjugates, which are typically prepared by using multistep sequences. The results of anal. of microarray images, obtained after incubation of multivalent glycan microarrays with cholera toxin B and pathogens such as uropathogenic E. coli and H. pylori, show that the binding affinities of toxins and pathogens for glycans are highly glycan d.-dependent. Specifically, toxins and pathogens bind to glycans more strongly as the valency of the glycans on the microarrays is increased from 1 to 4. It is anticipated that the newly developed immobilization method will be applicable to the preparation of multivalent carbohydrate microarrays that are employed to evaluate multivalent glycan binding properties of a variety of pathogens and toxins. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4HPLC of Formula: 4163-60-4).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) 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. 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.HPLC of Formula: 4163-60-4

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

Properties and durability of wood impregnated with high melting point polyethylene wax for outdoor use was written by Zhang, Lu;Yang, Xiaojun;Chen, Zehua;Dong, Haoran;Tan, Yongjie;Bai, Xinchun. And the article was included in Journal of Wood Chemistry and Technology in 2022.Recommanded Product: 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:

In order to develop a new wood product suitable for outdoor applications, a high m.p. polyethylene wax was used for high-pressure impregnation treatment of wood. Properties of impregnated wood were studied. Wax in molten state was stable with low viscosity, good fluidity, and easily penetrate into the wood under high pressure. Full-cell process included vacuum (-0.06 MPa for 30 min), high-pressure impregnation (0.75 MPa for 3 h) and pressure release (30 min). Wax contents of treated lodgepole pine (Pinus contorta Douglas ex Loudon.) and eucalyptus (Eucalyptus saligna) were 0.205 g/cm³ and 0.321 g/cm³, resp. Cell gaps and cell cavities of wood were filled with polyethylene wax. Nanoindentation tests showed that longitudinal mech. properties of wood cell walls were weakened after impregnation. After a 3 h high-pressure impregnation, hardness of lodgepole pine wood cell walls was reduced by 35.1%, and the modulus of elasticity was reduced by 4.9%. Treated wood had a much lower water absorption and swelling rate than untreated wood, its weathering resistance as well as insect resistance were better. 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: 6683-19-8Recommanded Product: 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. 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.Recommanded Product: 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

Design, synthesis and biological evaluation of novel tripeptidyl epoxyketone derivatives constructed from β-amino acid as proteasome inhibitors was written by Zhang, Jiankang;Cao, Jiayi;Xu, Lei;Zhou, Yubo;Liu, Tao;Li, Jia;Hu, Yongzhou. And the article was included in Bioorganic & Medicinal Chemistry in 2014.Recommanded Product: 87694-53-9 This article mentions the following:

A series of novel tripeptidyl epoxyketone derivatives constructed from β-amino acid were designed, synthesized and evaluated as proteasome inhibitors. All target compounds were tested for their proteasome inhibitory activities and selected compounds were tested for their anti-proliferation activities against two multiple myeloma (MM) cell lines RPMI 8226 and NCI-H929. Among them, eleven compounds exhibited proteasome inhibitory rates of more than 50% at the concentration of 1 μg/mL and nine compounds showed anti-proliferation activities with IC₅₀ values at low micromolar level. Compound I displayed the most potent proteasome inhibitory activities (IC₅₀ = 0.11 ± 0.01 μM) and anti-proliferation activities with IC₅₀ = 0.23 ± 0.01 and 0.17 ± 0.02 μM against two tested cell lines. Addnl., the poly-ubiquitin accumulation in the western blot anal. supported that proteasome inhibition in a cellular system was induced by compound I. All these exptl. results confirmed that β-amino acid can be introduced as a building block for the development of proteasome 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: 87694-53-9Recommanded Product: 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. 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.Recommanded Product: 87694-53-9

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

α-ketoheterocycles as inhibitors of Leishmania mexicana cysteine protease CPB was written by Steert, Koen;Berg, Maya;Mottram, Jeremy C.;Westrop, Gareth D.;Coombs, Graham H.;Cos, Paul;Maes, Louis;Joossens, Jurgen;Van der Veken, Pieter;Haemers, Achiel;Augustyns, Koen. And the article was included in ChemMedChem in 2010.Category: esters-buliding-blocks This article mentions the following:

Cysteine proteases of the papain superfamily are present in nearly all eukaryotes and also play pivotal roles in the biol. of parasites. Inhibition of cysteine proteases is emerging as an important strategy to combat parasitic diseases such as sleeping sickness, Chagas disease, and leishmaniasis. Inspired by the in vivo antiparasitic activity of the vinylsulfone-based cysteine protease inhibitors, a series of α-ketoheterocycles were developed as reversible inhibitors of a recombinant L. mexicana cysteine protease, CPB2.8. Three isoxazoles and especially one oxadiazole compound are potent reversible inhibitors of CPB2.8; however, in vitro whole-organism screening against a panel of protozoan parasites did not fully correlate with the observed inhibition of the cysteine protease. 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: 87694-53-9Category: esters-buliding-blocks).

(S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate (cas: 87694-53-9) 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. 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.Category: esters-buliding-blocks

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

Two-bond ¹³C-¹³C spin-coupling constants in saccharides: dependencies on exocyclic hydroxyl group conformation was written by Lin, Jieye;Meredith, Reagan J.;Oliver, Allen G.;Carmichael, Ian;Serianni, Anthony S.. And the article was included in Physical Chemistry Chemical Physics in 2021.COA of Formula: C16H22O11 This article mentions the following:

Seven doubly ¹³C-labeled isotopomers of Me β-D-glucopyranoside, Me β-D-xylopyranoside, Me β-D-galactopyranoside, Me β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside and Me β-D-galactopyranosyl-(1→4)-β-D-xylopyranoside were prepared, crystallized, and studied by single-crystal X-ray crystallog. and solid-state ¹³C NMR spectroscopy to determine exptl. the dependence of ²J_C1,C3 values in aldopyranosyl rings on the C1-C2-O2-H torsion angle, θ₂, involving the C2 carbon of the C1-C2-C3 coupling pathway. Using X-ray crystal structures to determine θ₂ in crystalline samples and by selecting compounds that exhibit a relatively wide range of θ₂ values in the crystalline state, ²J_C1,C3 values measured in crystalline samples were plotted against θ₂ and the resulting plot compared to that obtained from d. functional theory (DFT) calculations For θ₂ values ranging from ~90° to ~240°, very good agreement was observed between the exptl. and theor. plots, providing strong validation of DFT-calculated spin-coupling dependencies on exocyclic C-O bond conformation involving the central carbon of geminal C-C-C coupling pathways. These findings provide new exptl. evidence supporting the use of ²J_CCC values as non-conventional spin-coupling constraints in MA’AT conformational modeling of saccharides in solution, and the use of NMR spin-couplings not involving coupled hydroxyl hydrogens as indirect probes of C-O bond conformation. Solvomorphism was observed in crystalline βGal-(1→4)-βGlcOCH₃ wherein the previously-reported methanol solvate form was found to spontaneously convert to a monohydrate upon air-drying, leading to small but discernible conformational changes in, and a new crystalline form of, this disaccharide. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4COA of Formula: C16H22O11).

(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 4163-60-4) 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. 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.COA of Formula: C16H22O11

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

Simplification of the tetracyclic SIRT1-selective inhibitor MC2141: Coumarin- and pyrimidine-based SIRT1/2 inhibitors with different selectivity profile was written by Rotili, Dante;Carafa, Vincenzo;Tarantino, Domenico;Botta, Giorgia;Nebbioso, Angela;Altucci, Lucia;Mai, Antonello. And the article was included in Bioorganic & Medicinal Chemistry in 2011.COA of Formula: C9H10O3S This article mentions the following:

In this report we describe the synthesis and biol. characterization of two series of sirtuins’ inhibitors (SIRTi), designed as simplification products of the previously reported SIRT1-selective inhibitor MC2141 (4). In the first series (5a-t) we report a number of 2-substituted-1,2-dihydrobenzo[f]chromen-3-ones with a marked selectivity for the inhibition of SIRT2 over SIRT1. Some of such derivatives showed also high pro-apoptotic (5i and 5l) and/or cytodifferentiating (5d, 5i, and 5o) properties in a human leukemia cell line (U937). The second group of SIRTi (6a-q) is characterized by some analogs of cambinol (3), a well known SIRTi active against the Burkitt lymphoma. Such compounds, differently from the unselective prototype, are endowed with a selective inhibition of SIRT1 over SIRT2, and, in some cases (6j, 6k, and 6q), are more efficient than 3 to induce apoptosis in U937 cells. In the experiment, the researchers used many compounds, for example, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8COA of Formula: C9H10O3S).

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (cas: 13669-10-8) 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 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.COA of Formula: C9H10O3S

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