Category: 29038

On May 9, 2022, Zahoranszky-Kohalmi, Gergely; Lysov, Nikita; Vorontcov, Ilia; Wang, Jeffrey; Soundararajan, Jeyaraman; Metaxotos, Dimitrios; Mathew, Biju; Sarosh, Rafat; Michael, Samuel G.; Godfrey, Alexander G. published an article.Reference of 2-Chloroacetamide The title of the article was Algorithm for the Pruning of Synthesis Graphs. And the article contained the following:

Synthesis route planning is in the core of chem. intelligence that will power the autonomous chem. platforms. In this task we rely on algorithms to generate possible synthesis routes with the help of retro- and forward-synthetic approaches. Generated synthesis routes can be merged into a synthesis graph which represents theor. pathways to the target mol. However, it is often required to modify a synthesis graph due to typical constraints. These constraints might include “undesirable substances”, e.g., an intermediate that the chemist does not favor, or substances that might be toxic. Consequently, we need to prune the synthesis graph by the elimination of such undesirable substances. Synthesis graphs can be represented as directed (not necessarily acyclic) bipartite graphs, and the pruning of such graphs in the light of a set of undesirable substances has been an open question. In this study, we present the Synthesis Graph Pruning (SGP) algorithm that addresses this question. The input to the SGP algorithm is a synthesis graph, and a set of undesirable substances. Furthermore, information for substances is provided as metadata regarding their availability from inventory. The SGP algorithm operates with a simple local rule set, in order to determine which nodes and edges need to be eliminated from the synthesis graph. In this study, we present the SGP algorithm in details and provide several case studies that demonstrate the operation of the SGP algorithm. We believe that the SGP algorithm will be an essential component of computer aided synthesis planning. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Reference of 2-Chloroacetamide

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On July 15, 2020, Huang, Linjie; Sun, Liwei; Zhou, Congping; Ling, Ying; Lu, Hua; Luan, Shifang; Tang, Haoyu published an article.Related Products of 79-07-2 The title of the article was Preparation and Properties of UCST-Type Thermoresponsive Polypeptide Bearing Amide Pendants. And the article contained the following:

Thermoresponsive polypeptides bearing amide pendants with an upper critical solution temperature (UCST) under physiol. relevant solution conditions are developed. A series of poly(纬-propanyl-L-glutamate)s bearing amide pendants (PPLGn-Am) with different mol. weight (or d.p., DP) is prepared by copper mediated 1,3-dipolar cycloaddition While fourier transform infra-red and CD anal. reveal random coil conformation of the PPLGn-Am in the solid-state and in aqueous solutions, resp., PPLGn-Am shows reversible UCST-type phase behaviors in deionized water (DI) water and phosphate-buffered saline. Variable temperature UV-vis spectroscopy indicates that the UCST-type cloud point temperature (Tcp) in the range of 25-75 掳C can be readily tuned by mol. weight (or DP), polymer concentration, and incorporation of hydrophobic (i.e., n-hexyl) pendants. Moreover, PPLGn-Am is readily degraded by proteinase K within 48 h. The results indicate that UCST-type thermoresponsive and biodegradable polypeptides in aqueous solutions can be constructed by conjugation of amide pendants which shall provide guidance for future UCST polymer designs. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Related Products of 79-07-2

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On January 16, 2021, Kuznetsova, Ksenia G.; Levitsky, Lev I.; Pyatnitskiy, Mikhail A.; Ilina, Irina Y.; Bubis, Julia A.; Solovyeva, Elizaveta M.; Zgoda, Victor G.; Gorshkov, Mikhail V.; Moshkovskii, Sergei A. published an article.Category: amides-buliding-blocks The title of the article was Cysteine alkylation methods in shotgun proteomics and their possible effects on methionine residues. And the article contained the following:

In order to optimize sample preparation for shotgun proteomics, we compared four cysteine alkylating agents: iodoacetamide, chloroacetamide, 4-vinylpyridine and Me methanethiosulfonate, and estimated their effects on the results of proteome anal. Because alkylation may result in methionine modification in vitro, proteomics data were searched for methionine to isothreonine conversions, which may mimic genomic methionine to threonine substitutions found in proteogenomic analyses. We found that chloroacetamide was superior to the other reagents in terms of the number of identified peptides and undesirable off-site reactions. Among the reagents evaluated, iodoacetamide increased the rate of methionine-to-isothreonine conversion, especially if the sample was prepared in gel. The presence of proline following methionine in a protein sequence increased the modification rate as well. Generally, the methionine-to-isothreonine conversion events were relatively rare, but should be taken into account in proteogenomic studies when searching for single nucleotide polymorphism events at the protein level. Addnl., we have evaluated other methionine modifications, such as oxidation and carbamidomethylation. We found that carbamidomethylation may affect up to 80% of peptides containing methionine under the condition of iodoacetamide alkylation. In this case, carbamidomethylation of methionine is more common than oxidation and should be accounted for as a variable modification during proteomic search. One of the most trending questions in bottom-up proteomics is the depth of proteome profiling, in other words, the coverage of proteins by identified tryptic peptides. In proteogenomics, where the identification of a single peptide, e.g. bearing an amino acid substitution, may be of interest, high sequence coverage is especially important. Chem. modifications during sample preparation may mimic biol. significant coding mutations at the proteome level. A typical example of such modification is methionine to isothreonine conversion during alkylation, which mimics methionine to threonine substitution in protein sequences due to resp. genomic mutations. Therefore, the studies on the proper selection of alkylating reagents which balance the cysteine alkylation efficiency and the extent of methionine conversion upon conventional proteomic sample preparation workflow are crucial for the outcome of proteogenomic analyses and should present a general interest for the proteomic community. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Category: amides-buliding-blocks

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On July 31, 2022, Threlfall, T. published an article.Related Products of 79-07-2 The title of the article was The infrared spectra of amides. Part 1. The stretching vibrations of primary carboxamides. And the article contained the following:

The IR spectra of more than 150 primarycarboxamides in the NH stretching and the carbonyl region have been measured. Comparison is made with Bellamys anal. of the stretching modes of amines. The offset to higher frequencies of amides compared with amines is attributed to the widening of the bond angle. The sym. and antisym. stretching of the NH2 bonds is analyzed via a rearrangement of the Linnett equations. It is shown thereby that changes of bond strength vary the sym. and antisym. frequencies approx. proportionately while deviations from that relationship are due either to changes of the bond angle, steric hindrance or to hydrogen bonding. The spectral changes of m- and p-substituted amides are correlated with Hammett sigma functions, both in the carbonyl and the NH2 stretching region. Intensities and the influence of steric effects are also discussed. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Related Products of 79-07-2

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Karpun, Yevhen; Parchenko, Volodymyr; Fotina, Tetiana; Demianenko, Denys; Fotin, Anatolii; Nahornyi, Volodymyr; Nahorna, Natalia published an article in 2021, the title of the article was The investigation of antimicrobial activity of some s-substituted bis-1,2,4-triazole-3-thiones.Related Products of 79-07-2 And the article contains the following content:

New S-substituted 4-alkyl-(5-((3-(pyridin-4-yl)-1H-1,2,4-triazole-5-yl)thio)methyl)-4H-1,2,4-triazole-3-thiol derivatives have been designed, synthesized and studied their antimicrobial activity on 11 standard Gram-pos. and Gram-neg. microorganism strains. Their spectral and physicochem. parameters were established using modern comprehensive methods of anal., including 1H NMR spectroscopy, GC-MS and elemental anal.It has been found that compound 2a exhibits strong suppression of 5 test strains (MBC = 15.6 渭g/mL). Compound 4a showed moderate inhibition of Salmonella pullorum, Escherichia coli O2 , Salmonella enteritidis strains (MBC = 31.25 渭g/mL) Compound 6a was sensitive toward ten tested bacteria at 31.25渭g/mL concentration The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Related Products of 79-07-2

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On November 30, 2020, Zazharskyi, V.; Parchenko, M.; Parchenko, V.; Davydenko, P.; Kulishenko, O.; Zazharska, N. published an article.Reference of 2-Chloroacetamide The title of the article was Physicochemical properties of new S-derivatives of 5-(5-bromofuran-2-yl)-4-methyl-1,2,4-triazol-3-thiols. And the article contained the following:

The alkylation of 5-(5-bromofuran-2-yl)-4-methyl-1,2,4-triazole-3-thiol with bromoalkanes was carried out. Synthesis was accomplished by addition of equivalent amounts of bromoalkanes (bromomethane, bromoethane, bromobutane-bromodecane) to 5-(5-bromofuran-2-yl)-4-methyl-1,2,4-triazole-3-thiol in a methanol medium in the presence of an equivalent amount of sodium hydroxide. Compounds were obtained with a high yield. The next step was to investigate the reaction of 5-(5-bromofuran-2-yl)-4-methyl-1,2,4-triazole-3-thiol with some other halogen-containing compounds, the mechanism of the reaction of which also relates to nucleophilic substitution. As halogen-containing compounds, we used bromoacetone, bromoacetophenone, chloroacetic acid and chloroacetamide. Under these conditions, a series of new compounds were synthesized. Structure of compounds was confirmed by 1H NMR spectroscopy and elemental anal. The antibacterial activity of the synthesized compounds towards cryogenic strains of Enterobacteriaceae, Pseudomonadaceae, Staphylococcaceae, Bacillaceae, Listeriaceae, Corynebacteriaceae and Saccharomycetaceae families in vitro was also investigated. According to the data obtained, one can conclude that the investigated compounds can compete with kanamycin, a natural broad-spectrum antibiotic from the second generation of aminoglycosides, whose range of action includes gram-pos. and gram-neg. microorganisms. The compounds involved may be recommended for further investigation of their action against multi-resistant strains of microorganisms. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Reference of 2-Chloroacetamide

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On August 31, 2022, Mustafayev, Nazim; Novotorzhina, Nelya; Ramazanova, Yulduz; Musayeva, Bella; Safarova, Mehpara; Gakhramanova, Gariba; Ismayilov, Ingilab; Sujayev, Afsun published an article.Computed Properties of 79-07-2 The title of the article was Synthesis and Study of Novel Derivatives of 1,3-Dioxolane as Anti-Seizing Additives to Lubricating Oils. And the article contained the following:

The paper is focused on synthesis and study of novel derivatives of 1,3-dioxolane as anti-seizing additives to lubricating oils. By reacting 23, 2-dimethyl-4-hydroxymethyl-1,3-dioxolane with -chlorohydroxymethylchloroacetamide, 2,2-dimethyl-4-chloromethylcarbamoylmethyl-1,3-dioxolane was synthesized by reacting it with potassium S-butylxanthate and N,N-sodium diethylcarbamate synthesized 2,2-dimethyl-4-xantogenatomethylcarbamoylmethyloxymethyl-1,3-dioxolane and 2,2-dimethyl-4-N,N-diethylcarbamatomethylcarbamoylmethyloxymethyl-1,3-dioxolane, resp. The structure of all synthesized compounds was proved by studying their physicochem. properties including the defermination of refractive indexes, sp. gr. and the calculation on their basis of mol. refraction (MRD calculate and MRD found.) with their subsequent comparison, elemental composition and IR spectroscopy. The anti-seize properties of the synthesized compounds were studied using a four-ball friction machine (FFM-1). It was found that the synthesized compounds have high extreme pressure properties in synthetic (penta erythritol ether – PEE) and compounded (SN-1200 gear oil and PEE synthetic oil taken 1:1) oils and can be used to make prototypes of synthetic gear oils used in various gears. Using 2,2-dimethyl-4-xantogenatomethylcarbamoylmethyloxymethyl-1,3-dioxolane as an example, the advantage of using a compounded oil to achieve higher extreme properties is shown. The dependence of the efficiency of the lubricating properties of the synthesized compounds on their structure was revealed. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Computed Properties of 79-07-2

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Anchoori, Ravi K.; Tan, Marietta; Tseng, Ssu-Hsueh; Peng, Shiwen; Soong, Ruey-Shyang; Algethami, Aliyah; Foran, Palmer; Das, Samarjit; Wang, Chenguang; Wang, Tian-Li; Liang, Hong; Hung, Chien-Fu; Roden, Richard B. S. published an article in 2020, the title of the article was Structure-function analyses of candidate small molecule RPN13 inhibitors with antitumor properties.Name: 2-Chloroacetamide And the article contains the following content:

We sought to design ubiquitin-proteasome system inhibitors active against solid cancers by targeting ubiquitin receptor RPN13 within the proteasome鈥瞫 19S regulatory particle. The prototypic bis-benzylidine piperidone-based inhibitor RA190 is a Michael acceptor that adducts Cysteine 88 of RPN13. In probing the pharmacophore, we showed the benefit of the central nitrogen-bearing piperidone ring moiety compared to a cyclohexanone, the importance of the span of the aromatic wings from the central enone-piperidone ring, the contribution of both wings, and that substituents with stronger electron withdrawing groups were more cytotoxic. Potency was further enhanced by coupling of a second warhead to the central nitrogen-bearing piperidone as RA375 exhibited ten-fold greater activity against cancer lines than RA190, reflecting its nitro ring substituents and the addition of a chloroacetamide warhead. Treatment with RA375 caused a rapid and profound accumulation of high mol. weight polyubiquitinated proteins and reduced intracellular glutathione levels, which produce endoplasmic reticulum and oxidative stress, and trigger apoptosis. RA375 was highly active against cell lines of multiple myeloma and diverse solid cancers, and demonstrated a wide therapeutic window against normal cells. For cervical and head and neck cancer cell lines, those associated with human papillomavirus were significantly more sensitive to RA375. While ARID1A-deficiency also enhanced sensitivity 4-fold, RA375 was active against all ovarian cancer cell lines tested. RA375 inhibited proteasome function in muscle for >72h after single i.p. administration to mice, and treatment reduced tumor burden and extended survival in mice carrying an orthotopic human xenograft derived from a clear cell ovarian carcinoma. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Name: 2-Chloroacetamide

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On March 31, 2022, Gilani, Saeedeh; Najafpour, Ghasem published an article.Application In Synthesis of 2-Chloroacetamide The title of the article was Evaluation of the extraction process parameters on bioactive compounds of cinnamon bark: A comparative study. And the article contained the following:

In recent times, there has been special attention to the antidiabetic properties of herbal medicine like cinnamon, because of its major compounds such as cinnamic acid and cinnamaldehyde. This study optimizes an effective technique for the extraction of cinnamic acid and cinnamaldehyde from cinnamon bark. The effective parameters of both microwave and ultrasound methods were considered and then compared with the soxhlet extraction method. The impact of different solvent types, temperature and process time, solid: solvent portion, particle size, on the yield of cinnamic acid and cinnamaldehyde extraction were investigated. In addition, all the obtained extraction samples were analyzed by the newly developed HPLC method via UV detector. Finally, the optimized extraction factors were obtained 85 % aqueous ethanol; solid: solvent portion, 1:40 g/mL; particle size of 0.18 mm; for both microwave and ultrasound extraction methods. The maximum yield of cinnamic acid and cinnamaldehyde in microwave extraction were gained 3.9 and 49.4 mg/g, resp. Both advanced extraction techniques with our obtained optimized conditions are suggested for cinnamon bark. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).Application In Synthesis of 2-Chloroacetamide

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On May 31, 2022, Mutlu, Adem; Yesil, Tamer; Kymaz, Deniz; Zafer, Ceylan published an article.SDS of cas: 79-07-2 The title of the article was Simultaneous optimization of charge transport properties in a triple-cation perovskite layer and triple-cation perovskite/Spiro-OMeTAD interface by dual passivation. And the article contained the following:

Mol. engineering of additives is a highly effective method to increase the efficiency of perovskite solar cells by reducing trap states and charge carrier barriers in bulk and on the thin film surface. In particular, the elimination of undercoordinated lead species that act as the nonradiative charge recombination center or contain defects that may limit interfacial charge transfer is critical for producing a highly efficient triple-cation perovskite solar cell. Here, 2-iodoacetamide (2I-Ac), 2-bromoacetamide (2Br-Ac), and 2-chloroacetamide (2Cl-Ac) mols., which can be coordinated with lead, have been used by adding them into a chlorobenzene antisolvent to eliminate the defects encountered in the triple-cation perovskite thin film. The passivation process has been carried out with the coordination between the oxygen anion (-) and the lead (+2) cation on the enolate mol., which is in the resonance structure of the mols. The Spiro-OMeTAD/triple-cation perovskite interface has been improved by surface passivation by releasing HX (X = I, Br) as a byproduct because of the separation of alpha hydrogen on the mol. As a result, a solar cell with a negligible hysteresis operating at 19.5% efficiency has been produced by using the 2Br-Ac mol., compared to the 17.6% efficiency of the reference cell. The experimental process involved the reaction of 2-Chloroacetamide(cas: 79-07-2).SDS of cas: 79-07-2

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