Tag: 300-400

Synthesis, Structure-Activity Relationships, and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease was written by Nie, Shenyou;Yao, Yuan;Wu, Fangrui;Wu, Xiaowei;Zhao, Jidong;Hua, Yuanda;Wu, Jingyu;Huo, Tong;Lin, Yi-Lun;Kneubehl, Alexander R.;Vogt, Megan B.;Ferreon, Josephine;Rico-Hesse, Rebecca;Song, Yongcheng. And the article was included in Journal of Medicinal Chemistry in 2021.Reference of 330794-35-9 This article mentions the following:

Flaviviruses, including Zika, dengue, and West Nile viruses, are important human pathogens. The highly conserved NS2B-NS3 protease of Flavivirus is essential for viral replication and therefore a promising drug target. Through compound screening, followed by medicinal chem. studies, a novel series of 2,5,6-trisubstituted pyrazine compounds are found to be potent, allosteric inhibitors of Zika virus protease (ZVpro) with IC₅₀ values as low as 130 nM. Their structure-activity relationships are discussed. The ZVpro inhibitors also inhibit homologous proteases of dengue and West Nile viruses, and their inhibitory activities are correlated. The most potent compounds 47 and 103 potently inhibited Zika virus replication in cells with EC₆₈ values of 300-600 nM and in a mouse model of Zika infection. These compounds represent novel pharmacol. leads for drug development against Flavivirus infections. In the experiment, the researchers used many compounds, for example, tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate (cas: 330794-35-9Reference of 330794-35-9).

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate (cas: 330794-35-9) 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, 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.Reference of 330794-35-9

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

Worm-like micelles and vesicles formed by alkyl-oligo(ethylene glycol)-glycoside carbohydrate surfactants: The effect of precisely tuned amphiphilicity on aggregate packing was written by Moore, Jackson E.;McCoy, Thomas M.;Sokolova, Anna V.;de Campo, Liliana;Pearson, Graeme R.;Wilkinson, Brendan L.;Tabor, Rico F.. And the article was included in Journal of Colloid and Interface Science in 2019.COA of Formula: C16H22O11 This article mentions the following:

Carbohydrates are appealing non-ionic surfactant head-groups as they are naturally abundant, generally biocompatible and biodegradable, and readily functionalized. Recent work has produced a promising mol. candidate for the formation of viscoelastic worm-like micellar solutions: a tri(ethylene glycol)-linked oleyl-β-D-glucoside surfactant (GlcC18:1) exhibited near ideal Maxwell behavior at low concentrations (2.9 wt%) without additives at room temperature Here, fourteen surfactants have been synthesized with structural variations based around GlcC18:1. Each contain an oligo(ethylene glycol) linker of varying length (2, 3, 4, 6 EO units) between a carbohydrate head-group (glucose, galactose, mannose, maltose, lactose, cellobiose) and a cis-unsaturated alkyl tail-group (oleyl, linoleyl, erucyl). The aqueous adsorption kinetics and self-assembly of these surfactants was explored using tensiometry and small-angle neutron scattering (SANS), resp. With SANS we observed the formation of worm-like micelles for four surfactants, and vesicles for two surfactants which exhibited behavior similar to insoluble lipids. We also observed temperature-induced micellar elongation due to dehydration of the oligo(ethylene glycol) linker, resulting in a further three surfactants forming worm-like micelles at 50 °C. Worm-like micellar fluids were further characterized using rheol. to reveal two surfactants with vastly superior viscoelastic properties compared to GlcC18:1, with > 2 orders of magnitude increase in viscosity and > 3 orders of magnitude increase in stress relaxation time. These results provide insight into structure-function relationships for non-ionic surfactants and demonstrate a class of designed amphiphiles with a special propensity for forming viscoelastic worm-like micellar solutions at low concentrations 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 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.COA of Formula: C16H22O11

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

Enhancing the Solubility of Semiconducting Polymers in Eco-Friendly Solvents with Carbohydrate-Containing Side Chains was written by Mooney, Madison;Wang, Yunfei;Nyayachavadi, Audithya;Zhang, Song;Gu, Xiaodan;Rondeau-Gagne, Simon. And the article was included in ACS Applied Materials & Interfaces in 2021.Application of 4163-60-4 This article mentions the following:

Semiconducting polymers are at the forefront of next-generation organic electronics due to their robust mech. and optoelectronic properties. However, their extended π-conjugation often leads to materials with low solubilities in common organic solvents, thus requiring processing in high-boiling-point and toxic halogenated solvents to generate thin-film devices. To address this environmental concern, a natural product-inspired side-chain engineering approach was used to incorporate galactose-containing moieties into semiconducting polymers toward improved processability in greener solvents. Novel isoindigo-based polymers with different ratios of galactose-containing side chains were synthesized to improve the solubilities of the organic semiconductors in alc.-based solvents. The addition of carbohydrate-containing side chains to π-conjugated polymers was found to considerably impact the intermol. aggregation of the materials and their microstructures in the solid state as confirmed by at. force microscopy and grazing-incidence wide-angle X-ray scattering. The charge transport characteristics of the new semiconductors were evaluated by the fabrication of organic field-effect transistors prepared from both toxic halogenated and greener alc.-based solvents. Importantly, the incorporation of carbohydrate-containing side chains was shown to have very little detrimental impact on the electronic properties of the polymer when processed from green solvents. 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: 4163-60-4Application of 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 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 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 4163-60-4

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

Face mask-A potential source of phthalate exposure for human was written by Xie, Huaijun;Han, Wenjing;Xie, Qing;Xu, Tong;Zhu, Minghua;Chen, Jingwen. And the article was included in Journal of Hazardous Materials in 2022.Recommanded Product: Dicyclohexyl phthalate This article mentions the following:

Face masks are necessary for fighting against the coronavirus disease 2019 around the world. As the face mask is usually made from polymers and phthalates are widely-used additives into the polymers, the face mask could be a potential source of phthalate exposure to humans. However, limited knowledge is available on the occurrence and risks of the phthalates from the face mask. In this study, twelve phthalates were determined in 56 mask samples collected from different countries. The phthalates were detected in all the samples with total levels ranging 115-37,700 ng/g. Estimated daily intakes (EDIs) of the phthalates from the masks ranged 3.71-639 ng/kg body weight/day, and the EDIs of the phthalates from masks for toddlers were �-5-fold higher than those for adults. Non-carcinogenic risks in relation to the phthalates in masks were found to be within safe levels, yet 89.3% of the mask samples exhibited potential carcinogenic effects to humans. The extent of the risks for wearing masks located at a moderate level comparing with other skin-contacted products. This study unveiled a potential source of phthalate exposure to human, and indicated necessity of managing types and levels of additives in the face masks. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Recommanded Product: Dicyclohexyl phthalate).

Dicyclohexyl phthalate (cas: 84-61-7) 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° 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. Recommanded Product: Dicyclohexyl phthalate

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

Synthesis and cytotoxic activity of 4-O-β-D-galactopyranosyl derivatives of phenolic acids esters was written by Al Bujuq, Nader;Arar, Sharif;Khalil, Raida. And the article was included in Natural Product Research in 2018.Safety of (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate This article mentions the following:

The glycosylation of naturally occurring phenolic acids has a significant impact on their solubility, stability and physiochem. properties. D-Galactose residue was found to form a part of glycoconjugates in several tissues and involved in a variety of physiol. process. To the best of our knowledge, we have noticed a little information about the glycosylation of the phenolic acids with galactose residue. In this work, we describe the glycosylation of Me vanillate and Me ferulate with peracetylated-β-D-galactopyranose in the presence of BF₃·OEt₂. The coupling reaction yielded efficiently and selectively only the acetylated β-D-galactopyranosides and . Removal of the acetyl groups using sodium methoxide afforded the corresponding β-D-galactopyranosides and in good yields. Anticancer activity in vitro was evaluated against two human cancer cell lines (MCF-7 breast cancer cell lines and PC-3 prostate cancer cell lines). β-D-galactopyranosides and demonstrated improved cytotoxic activity compared to the parental esters. 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: 4163-60-4Safety of (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate).

(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 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.Safety of (2S,3R,4S,5S,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate

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

Certified Reference Material for the Quantification of Phthalates in Polyvinyl Chloride Resin (NMIJ CRM 8152) was written by Hanari, Nobuyasu;Orihara, Yukari;Matsuyama, Shigetomo. And the article was included in Analytical Letters in 2021.Formula: C20H26O4 This article mentions the following:

Phthalates are primary industrial chems. used as polyvinyl chloride (PVC) plasticizers. However, certain phthalates are controlled as restricted substances listed under Annex II of Directive 2011/65/EU, (EU)2015/863. Since an accurate quantification of phthalates is essential to monitoring their concentration levels, quality assurance during their analyses using certified reference materials (CRMs) is required. A PVC CRM for the quantification of phthalates (NMIJ CRM 8152) was provided by the National Metrol. Institute of Japan. This CRM was in the form of grayish-white pellets (3-mm diameter x 3-mm length). The anal. procedures adopted were isotope-dilution mass spectrometry, which was the primary method of measurement, and gas chromatog./mass spectrometry; these procedures were optimized and applied to the characterization. The mass fractions of five target phthalates calculated using the mean values were determined as the certified values of the CRM. The relative standard uncertainties attributed to the certification were combined, e.g., those for the characterization, inhomogeneity, and instability. The mass fractions of five phthalates were certified, and those of three phthalates and one adipate were acquired and are reported as tech. information. The CRM is shown to be applicable to assessing the validity of anal. methods during the quantification of phthalates in PVC resin and similar materials. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Formula: C20H26O4).

Dicyclohexyl phthalate (cas: 84-61-7) 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.Formula: C20H26O4

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

Assessment of the in vitro effect of antibodies induced by peptido-mimetics derived from the Plasmodium merozoite surface protein-2 in malaria caused by P. berghei and P. yoelii in BALB/c mice was written by Lesmes, Liliana Patricia;Gallego, Gina Marcela;Carreno, Luisa Fernanda;Hoebeke, Johan;Lozano, Jose Manuel. And the article was included in Revista Colombiana de Ciencias Quimico-Farmaceuticas in 2010.Category: esters-buliding-blocks This article mentions the following:

Based on previous studies in which those residues being critical for Plasmodium falciparum binding to red blood cells (RBCs) through the antigenic sequence (²¹KNESKYSNTFINNAYNMSIR⁴⁰) from the merozoite surface antigen-2 (MSP-2) were identified, the authors have designed and synthesized two reduced amide pseudopeptide sequences based on the ³¹IN³² binding motif. Synthesized peptidomimetics, possess each one a modified peptide bond that presented as a ψ[CH₂-NH] reduced amide isostere bond, allowing the Phe-Ile modified amino acid pair allowing pseudopeptides coded ψ-128 (monomer form) and ψ-129 (polymer form) and the Ile-Asn modified amino acid pair for pseudopeptides coded ψ-130 (monomer form) and ψ-131 (polymer form). By using the polymer forms of both peptidomimetics as immunogens, monoclonal antibodies were produced in BALB/c mice. These Ig showed an IgM isotype. The isotype antibody switching was lead by in vitro immunization of the original hybridomas. Isolated Igs were tested for their functional in vitro activity, on a infection controlled experiment of rodent Plasmodium strains infecting red blood cells. Obtained results reveal the role played by antibodies to peptidomimetic in infection assays performed further on animal exptl. models. 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. 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.Category: esters-buliding-blocks

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

The gas/particle partitioning behavior of phthalate esters in indoor environment: Effects of temperature and humidity was written by Zhou, Xiaojun;Lian, Juanli;Cheng, Yan;Wang, Xinke. And the article was included in Environmental Research in 2021.Synthetic Route of C20H26O4 This article mentions the following:

Phthalate esters (PAEs) are ubiquitous and among the most abundant semi-volatile organic compounds (SVOCs) in indoor environments. Due to their low saturated vapor pressure, SVOCs tend to adhere to indoor surfaces and particulate matters, which may result in higher total concentrations than occur in the gas phase alone. Thus, gas/particle partitioning of PAEs plays an important role in their indoor fates and health risks. However, the influence of indoor environmental parameters, including temperature and humidity, on the partitioning of PAEs between air and particles is rarely known. In this study, a novel exptl. system was designed to investigate the effects of temperature and humidity on partitioning behavior between gas- and particle-phase PAEs. The chamber experiments were conducted at temperatures of 12.5°C, 17.5°C, 24.0°C, 29.5°C and 40.0°C and moisture contents of 3.5 g/kg, 5.0 g/kg, 6.5 g/kg, 8.0 g/kg and 9.5 g/kg dry air. The results showed that higher temperatures led to stronger emission of phthalate esters from the PVC panel, which resulted in higher gas-phase concentrations of phthalate esters and particle-phase concentrations In addition, temperature has a strong neg. effect on the gas/particle partition coefficient (K_p), and an order of magnitude difference in K_p was observed between 12.5 and 40°C. There are exponential decay laws between K_p and the absolute temperature However, a smaller effect of humidity than of temperature on K_p was revealed, and no obvious law was found. Moreover, K_p of compounds with larger mol. weights are more obviously influenced by the variations in environmental factors. This study is of pos. significance for reducing the health risks of PAEs by guiding the regulation of indoor environmental parameters. In the experiment, the researchers used many compounds, for example, Dicyclohexyl phthalate (cas: 84-61-7Synthetic Route of C20H26O4).

Dicyclohexyl phthalate (cas: 84-61-7) 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. 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.Synthetic Route of C20H26O4

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

Macrocyclic Immunoproteasome Inhibitors as a Potential Therapy for Alzheimer’s Disease was written by Lee, Min Jae;Bhattarai, Deepak;Jang, Hyeryung;Baek, Ahreum;Yeo, In Jun;Lee, Seongsoo;Miller, Zachary;Lee, Sukyeong;Hong, Jin Tae;Kim, Dong-Eun;Lee, Wooin;Kim, Kyung Bo. And the article was included in Journal of Medicinal Chemistry in 2021.Product Details of 87694-53-9 This article mentions the following:

Previously, we reported that immunoproteasome (iP)-targeting linear peptide epoxyketones improve cognitive function in mouse models of Alzheimer’s disease (AD) in a manner independent of amyloid β. However, these compounds’ clin. prospect for AD is limited due to potential issues, such as poor brain penetration and metabolic instability. Here, we report the development of iP-selective macrocyclic peptide epoxyketones prepared by a ring-closing metathesis reaction between two terminal alkenes attached at the P2 and P3/P4 positions of linear counterparts. We show that a lead macrocyclic compound DB-60 (20) effectively inhibits the catalytic activity of iP in ABCB1-overexpressing cells (IC₅₀: 105 nM) and has metabolic stability superior to its linear counterpart. DB-60 (20) also lowered the serum levels of IL-1α and ameliorated cognitive deficits in Tg2576 mice. The results collectively suggest that macrocyclic peptide epoxyketones have improved CNS drug properties than their linear counterparts and offer promising potential as an AD drug candidate. 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: 87694-53-9Product Details 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. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. 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 87694-53-9

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

Unprecedented crystallization and X-ray crystal structure of racemic N^α-(t-butyloxycarbonyl)-L-phenylalanine N-methoxy-N-methylamide was written by Zheng, Xiaozhang;Donkor, Isaac O.;Miller, Duane D.;Ross, Charles R. II. And the article was included in Chirality in 2000.Reference of 87694-53-9 This article mentions the following:

Weinreb amide Boc-Phe-N(Me)OMe was synthesized from Boc-Phe-OH and O,N-dimethylhydroxylamine hydrochloride using iso-Bu chloroformate with the coupling agent being carbonyldiimidazole or ethylcarbodiimide. An optically active oil was isolated along with an optically inactive solid irresp. of the type of coupling agent used. Single crystal x-ray anal. of the solid revealed that it is a racemate. The mol. packing of the crystals reflect the stability of the racemate as opposed to an enantiomerically pure solid. 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: 87694-53-9Reference 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 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. 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. Reference of 87694-53-9

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