Tag: 0-100

On March 31, 2021, Bogdanovic, Aleksandra; Lazic, Anita; Grujic, Slavica; Dimkic, Ivica; Stankovic, Slavisa; Petrovic, Slobodan published an article.Safety of 2-Chloroacetamide The title of the article was Characterisation of twelve newly synthesised N-(substituted phenyl)-2-chloroacetamides with QSAR analysis and antimicrobial activity tests. And the article contained the following:

In this study we screened twelve newly synthesized N-(substituted phenyl)-2-chloroacetamides for antimicrobial potential relying on quant. structure-activity relationship (QSAR) anal. based on the available cheminformatics prediction models (Molinspiration, SwissADME, PreADMET, and PkcSM) and verified it through standard antimicrobial testing against Escherichia coli, Staphylococcus aureus, methicillin-resistant S. aureus (MRSA), and Candida albicans. Our compounds met all the screening criteria of Lipinski’s rule of five (Ro5) as well as Veber’s and Egan’s methods for predicting biol. activity. In antimicrobial activity tests, all chloroacetamides were effective against Gram-pos. S. aureus and MRSA, less effective against the Gram-neg. E. coli, and moderately effective against the yeast C. albicans. Our study confirmed that the biol. activity of chloroacetamides varied with the position of substituents bound to the Ph ring, which explains why some mols. were more effective against Gram-neg. than Gram-pos. bacteria or C. albicans. Bearing the halogenated p-substituted Ph ring, N-(4-chlorophenyl), N-(4-fluorophenyl), and N-(3-bromophenyl) chloroacetamides were among the most active thanks to high lipophilicity, which allows them to pass rapidly through the phospholipid bilayer of the cell membrane. They are the most promising compounds for further investigation, particularly against Gram-pos. bacteria and pathogenic yeasts. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Safety of 2-Chloroacetamide

The Article related to n-substituted amides, antimicrobial potential, quantitative analysis of chemical structure and activity relationship, and other aspects.Safety of 2-Chloroacetamide

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

Prothiwa, Michaela; Bottcher, Thomas published an article in 2020, the title of the article was Competitive profiling for enzyme inhibitors using chemical probes.Name: 2-Chloroacetamide And the article contains the following content:

Enzyme inhibitors are central tools for chem. biol. In this chapter we will discuss the application of chem. probes for competitive profiling of inhibitors of the quinolone biosynthesis enzyme PqsD of Pseudomonas aeruginosa. The human pathogen P. aeruginosa produces a large diversity of 2-alkyl-4(JH)-quinolones and their derivatives as metabolites with major roles in quorum sensing, virulence, and interspecies competition. PqsD is a central enzyme in the biosynthesis of all ofthese quinolones and hence an interesting target for inhibitor discovery. Aaivity-based probes with an elearophilic warhead bind covalently to aaive site nucleophiles like cysteine or serine. An α-chloroacetamide probe with terminal alkyne tag allowed to selectively label the aaive site cysteine of PqsD and was demonstrated to be a useful tool for inhibitor discovery using competition experiments Potent inhibitors bind to the aaive site and thereby prevent labeling ofthe enzyme by the probe. Labeling intensity is quantified. on polyacrylamide gels by the fluorescence of a reporter tag appended by bioorthogonal click chem. The competitive inhibitor profiling strategy has many advantages over traditional screening approaches and is applicable in vitro as well as in live cells. Here we describe the synthesis of an activity-based probe and provide our detailed protocols for target enzyme labeling as well as its application for the screening for potent enzyme inhibitors of PqsD by a competitive profiling strategy. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Name: 2-Chloroacetamide

The Article related to acetamides: chemistry, bacterial proteins: antagonists & inhibitors, bacterial proteins: biosynthesis, bacterial proteins: genetics, binding, competitive, catalytic domain, click chemistry: methods, electrophoresis, polyacrylamide gel: methods, enzyme inhibitors: chemistry, enzyme inhibitors: pharmacology and other aspects.Name: 2-Chloroacetamide

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

On April 15, 2021, Murphy, EmmaRae L.; Joy, Andrew P.; Ouellette, Rodney J.; Barnett, David A. published an article.Formula: C2H4ClNO The title of the article was Optimization of cysteine residue alkylation using an on-line LC-MS strategy: Benefits of using a cocktail of haloacetamide reagents. And the article contained the following:

Several common reagents for the alkylation of cysteine residues of model intact proteins were evaluated for reaction speed, yield of alkylated product and degree of over-alkylation using an online LC-MS platform. The efficiency of the alkylation reaction is found to be dependent on the (1) reagent, (2) peptide/protein, (3) reagent concentration and (4) reaction time. At high reagent concentrations, iodoacetic acid was found to produce significant levels of over-alkylation products wherein methionine residues become modified. For optimal performance of the alkylation reaction, we found the use of a cocktail of chloroacetamide, bromoacetamide and iodoacetamide worked best. The alkylating efficiency of each haloacetamide is a balance between the characteristics of the halogen leaving group and the steric hindrance of the alkylation site on the peptide or protein. A key aspect of using a cocktail of haloacetamides is that they all produce the same modification (+57.0209 Da) to the cysteine residues of the protein while the alkylation efficiency of each site may differ for each of the three reagents. Over-alkylation effects appear to be lower with the cocktail due to a lower concentration of each reagent. The haloacetamide cocktail could be useful when considering complex mixtures of proteins. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Formula: C2H4ClNO

The Article related to alkylation, kinetics, liquid chromatography and quadrupole-orbitrap mass spectrometer, protein, acetamides: chemistry, alkylation, chromatography, liquid, cysteine: chemistry, iodoacetamide: chemistry, proteins: chemistry, tandem mass spectrometry and other aspects.Formula: C2H4ClNO

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

On October 15, 2021, Baran, Nicole; Surdyk, Nicolas; Auterives, Chrystelle published an article.Quality Control of 2-Chloroacetamide The title of the article was Pesticides in groundwater at a national scale (France): Impact of regulations, molecular properties, uses, hydrogeology and climatic conditions. And the article contained the following:

Contaminants in groundwater are a major issue worldwide. Temporal trends of such occurrences in French groundwaters were evaluated for several active substances of pesticides belonging to different chem. classes, to identify key factors explaining groundwater contamination. Our study relied on exploitation of a French national database (ADES, created in the mid-1990s and remarkable for the available data, including over 88 million analyses). Temporal changes in the frequency of exceeding a reference value of 0.1μg/L for several substances were determined at yearly and monthly scales. Such trends were examined by distinguishing different periods according to changes in regulations (new approval, withdrawal, or dose reduction), and were combined with data on effective rainfall as a proxy for groundwater recharge, on aquifer lithol., and on sales of active substances as a proxy for actual applications. A review of monthly data shows that a rapid transfer of pesticides with contrasting physico-chem. properties can occur after application in many aquifers, regardless of their lithol. For substances such as metolachlor, showing a sharp increase in sales, a clear relationship exists between quantities sold and frequency of exceeding the reference value. For other active substances, such as isoproturon or chlortoluron, frequencies of exceedance are governed by both sales and effective rainfall. Finally, the occurrence of active substances in groundwater several years after their withdrawal from the market is explained by at least three major mechanisms: the transfer time from soil into groundwater, processes of remobilization from soil and/or unsaturated zone, and no or low degradation in the saturated zone. While these processes are well documented for atrazine and different types of aquifers, they can be virtually unknown for other active substances. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Quality Control of 2-Chloroacetamide

The Article related to atrazine terbuthylazine climate change groundwater pollution france, dose reduction, groundwater, occurence, pesticide, trend, withdrawal, Water: Water Pollution and other aspects.Quality Control of 2-Chloroacetamide

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

On June 22, 2020, Palazzesi, Ferruccio; Hermann, Markus R.; Grundl, Marc A.; Pautsch, Alexander; Seeliger, Daniel; Tautermann, Christofer S.; Weber, Alexander published an article.Application In Synthesis of 2-Chloroacetamide The title of the article was BIreactive: A Machine-Learning Model to Estimate Covalent Warhead Reactivity. And the article contained the following:

In the past decade, the pharmaceutical industry has paid closer attention to covalent drugs. Differently from standard noncovalent drugs, these compounds can exhibit peculiar properties, such as higher potency or longer duration of target inhibition with a potentially lower dosage. These properties are mainly driven by the reactive functional group present in the compound, the so-called warhead that forms a covalent bond with a specific nucleophilic amino-acid on the target. In this work, we report the possibility to combine ab initio activation energies with machine-learning to estimate covalent compound intrinsic reactivity. The idea behind this approach is to have a precise estimation of the transition state barriers, and thus of the compound reactivity, but with the speed of a machine-learning algorithm. We call this method “BIreactive”. Here, we demonstrate this approach on acrylamides and 2-chloroacetamides, two warhead classes that possess different reaction mechanisms. In combination with our recently implemented truncation algorithm, we also demonstrate the possibility to use BIreactive not only for fragments but also for lead-like mols. The generic nature of this approach allows also the extension to several other warheads. The combination of these factors makes BIreactive a valuable tool for the covalent drug discovery process in a pharmaceutical context. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Application In Synthesis of 2-Chloroacetamide

The Article related to machine learning covalent warhead reactive functional group acrylamide derivative, Pharmacology: Methods and other aspects.Application In Synthesis of 2-Chloroacetamide

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

On May 31, 2021, Kuljanin, Miljan; Mitchell, Dylan C.; Schweppe, Devin K.; Gikandi, Ajami S.; Nusinow, David P.; Bulloch, Nathan J.; Vinogradova, Ekaterina V.; Wilson, David L.; Kool, Eric T.; Mancias, Joseph D.; Cravatt, Benjamin F.; Gygi, Steven P. published an article.Related Products of 79-07-2 The title of the article was Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries. And the article contained the following:

Current methods used for measuring amino acid side-chain reactivity lack the throughput needed to screen large chem. libraries for interactions across the proteome. Here we redesigned the work flow for activity-based protein profiling of reactive cysteine residues by using a smaller desthiobiotin-based probe, sample multiplexing, reduced protein starting amounts and software to boost data acquisition in real time on the mass spectrometer. Our method, streamlined cysteine activity-based protein profiling (SLC-ABPP), achieved a 42-fold improvement in sample throughput, corresponding to profiling library members at a depth of >8,000 reactive cysteine sites at 18 min per compound We applied it to identify proteome-wide targets of covalent inhibitors to mutant Kirsten rat sarcoma (KRAS)G12C and Bruton’s tyrosine kinase (BTK). In addition, we created a resource of cysteine reactivity to 285 electrophiles in three human cell lines, which includes >20,000 cysteines from >6,000 proteins per line. The goal of proteome-wide profiling of cysteine reactivity across thousand-member libraries under several cellular contexts is now within reach. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Related Products of 79-07-2

The Article related to reactive cysteine screening large electrophile library, Biochemical Methods: Biological and other aspects.Related Products of 79-07-2

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

On June 30, 2021, Ma, Xinyan; Zhang, Ying; Guan, Mingyang; Zhang, Weidong; Tian, Huifang; Jiang, Caixiao; Tan, Xiaoxin; Kang, Weijun published an article.Electric Literature of 79-07-2 The title of the article was Genotoxicity of chloroacetamide herbicides and their metabolites in vitro and in vivo. And the article contained the following:

The toxicity of chloroacetamide herbicide in embryo development remains unclear. Acetochlor (AC) is a chloroacetamide that metabolizes into 2-ethyl-6-methyl-2-chloroacetanilide (CMEPA) and 6-ethyl-o-toluidine (MEA). The present study determined the potential effect of AC and its metabolites on embryo development. Both HepG2 cells and zebrafish embryos were exposed to AC, CMEPA and MEA in the presence or absence of co treatment with anti reactive oxygen species (ROS) reagent N acetylcysteine. The generation of ROS, levels of superoxide dismutase (SOD) and glutathione (GSH) in HepG2 cells and lactate dehydrogenase (LDH) leakage from HepG2 cells were investigated. The effects of AC, CMEPA and MEA on DNA breakage, MAPK/ERK pathway activity, viability and apoptosis of HepG2 cells were examined by comet assay, western blotting, MTT assay and flow cytometry, resp. Levels of LDH, SOD and GSH in zebrafish embryos exposed to AC, CMEPA and MEA were measured. The hatching and survival rates of zebrafish embryos exposed to AC, CMEPA and MEA, were determined, and apoptosis of hatched fish was investigated using acridine orange staining. The present data showed AC, CMEPA and MEA induced generation of ROS and decreased levels of SOD and GSH in HepG2 cells, which in turn promoted DNA breakage and LDH leakage from cells, ultimately inhibiting cell viability and inducing apoptosis, as well as phosphorylation of JNK and P38. However, co treatment with N-acetylcysteine alleviated the pro apoptosis effect of AC and its metabolites. Moreover, exposure to AC, CMEPA and MEA lead to toxicity of zebrafish embryos with decreased SOD and GSH and increased LDH levels and cell apoptosis, ultimately decreasing the hatching and survival rates of zebrafish, all of which was attenuated by treatment with N-acetylcysteine. Therefore, AC and its metabolites (CMEPA and MEA) showed cytotoxicity and embryo development toxicity. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Electric Literature of 79-07-2

The Article related to danio embryos liver cancer chloroacetamide herbicides genotoxicity, acetochlor, apoptosis, chloroacetamide herbicide, embryo toxicity, reactive oxygen species, zebrafish, Toxicology: Agrochemical and other aspects.Electric Literature of 79-07-2

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

On January 31, 2020, Matyjaszczyk, Ewa; Skrzecz, Iwona published an article.Related Products of 79-07-2 The title of the article was How European Union accession and implementation of obligatory integrated pest management influenced forest protection against diseases and weeds: A case study from Poland. And the article contained the following:

An anal. of the impact of accession to the European Union and implementation of compulsory integrated pest management on the chem. protection of forest in Poland against diseases and weeds was performed. No impact of compulsory integrated pest management has been observed on forest protection against diseases and weeds so far. However a strong influence of the legal changes and implementation of common registration rules on the availability of plant protection products was observed The paper presents data on the fungicides and herbicides use in Polish forests in the years 1997-2017. Protection against weeds and diseases in Poland is focused only on very young trees. Consequently the application of herbicides and fungicides is performed on much smaller area than application of insecticides and never from the air. In terms of volume, the use of fungicides and herbicides in Polish forests in the year 2017 was below 0,1% of fungicides and herbicides used at the same time in Polish agriculture. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Related Products of 79-07-2

The Article related to calamagrostis deschampsia powdery mildew disease fungicide herbicide poland, Agrochemical Bioregulators: Plant and other aspects.Related Products of 79-07-2

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

On May 31, 2021, Price, Katilyn J.; Li, Xiao; Price, Andrew J.; Browne, Frances; Balkcom, Kris; Chen, Charles Y. published an article.Computed Properties of 79-07-2 The title of the article was Evaluation of peanut tolerance to mid-season applications of PPO-Inhibitor herbicides mixed with different surfactants. And the article contained the following:

Protoporphyrinogen oxidase (PPO) inhibitor herbicides are being increasingly used to control acetolactate synthases (ALS) inhibitor-resistant weeds in peanuts (Arachis hypogaea L.). However, PPO-inhibitor herbicides can injure the crop under certain application conditions, especially under abiotic stress and surfactants may exacerbate this injury. The objectives of this study were to (1) investigate the effect of PPO-inhibitor based treatments on dryland peanut growth and yield when applied at three timings in mid-season, (2) evaluate the interactions of surfactants, chloroacetamide herbicides, and PPO-inhibitors, and (3) assess the level of correlation of normalized difference vegetation index (NDVI) readings to traditional visible injury rating. Field studies were conducted in Henry and Escambia counties in Alabama, U.S. during 2018, and 2019. Up to 55% of visible peanut injury was observed with acifluorfen, lactofen, and carfentrazone-Et treatments. In general, the NDVI readings correlated significantly with traditional visible injury ratings. A tank mixture of chloroacetamide herbicides (pyroxasulfone, S-metolachlor, dimethenamid-P) with lactofen did not lead to more injury or yield loss than lactofen applied alone. Yield losses up 27% were observed with carfentrazone-Et plus a high surfactant oil concentrate (HSOC) at 75 and 90 days after planting (DAP) as compared to the non-treated check (NTC). Overall, treatments with HSOC and/or carfentrazone-Et were more likely to cause significant injury and yield loss than treatments with acifluorfen or lactofen plus nonionic surfactant (NIS). Peanuts are more sensitive to PPO-inhibitor herbicides at 75 DAP. NDVI did provide addnl. plant health information to subjective injury ratings, however, neither of these measurements are reliable predictors of peanut yield loss. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Computed Properties of 79-07-2

The Article related to protoporphyrinogen oxidase inhibitor herbicide arachis yield, Agrochemical Bioregulators: Plant and other aspects.Computed Properties of 79-07-2

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

On January 31, 2020, Alkahtani, Hamad M.; Abdalla, Ashraf N.; Obaidullah, Ahmad J.; Alanazi, Mohammed M.; Almehizia, Abdulrahman A.; Alanazi, Mashael G.; Ahmed, Ahmed Y.; Alwassil, Osama I.; Darwish, Hany W.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S. published an article.COA of Formula: C2H4ClNO The title of the article was Synthesis, cytotoxic evaluation, and molecular docking studies of novel quinazoline derivatives with benzenesulfonamide and anilide tails: Dual inhibitors of EGFR/HER2. And the article contained the following:

We synthesized a new series of 2-[(3-(4-sulfamoylphenethyl)-4(3H)-quinazolinon-2-yl)thio]anilide derivatives (2-16) and evaluated their cytotoxic activity against breast adenocarcinoma (MCF-7), colorectal adenocarcinoma (HT-29), and acute myeloid leukemia (HL-60 and K562) cells. To reveal their selectivity toward cancer cells, the compounds were also tested against the human fibroblast cell line, MRC-5. Compounds 1-5 exhibited potent cytotoxic activity against the tested cell lines with IC50 values of 0.65-3.86, 0.68-4.60, 0.41-1.45, 0.42-4.07, and 3.77-25.55μM, resp. compared to sorafenib, the standard drug (IC50 2.50, 2.50, and 3.14μM against MCF-7, HT-29, and HL60 cells, resp.). Interestingly, compounds 1-5 displayed selectivity toward the cancer cell lines over MRC-5 (IC50 3.77-25.55μM). These compounds also displayed potent inhibitory activity against EGFR and HER2 kinases (IC50 0.09-0.43 and 0.15-0.33μM, resp.) compared to the standard drug, sorafenib (IC50 0.11 and 0.13μM, resp.). Likewise, compounds 1, 4, and 5 showed strong inhibitory activity against VEGFR2 (IC50 0.34, 0.28 and 0.39μM, resp.) compared to sorafenib (IC50 0.17μM). We also employed mol. docking to identify the structural features required for the EGFR/HER2 inhibitory activity of the new series. Ultimately, compounds 1, 4, and 5 were demonstrated to be candidates for further preclin. investigations. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).COA of Formula: C2H4ClNO

The Article related to preparation quinazoline benzenesulfonamide anilide derivative egfr her2 inhibitor cancer, anticancer, egfr, her2, molecular docking, quinazolin-4-ones, Pharmacology: Structure-Activity and other aspects.COA of Formula: C2H4ClNO

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