Tag: 0-100

Gate, E. Nicholas et al. published their research in Journal of Medicinal Chemistry in 1986 | CAS: 58644-54-5

N-Cyclopropylformamide (cas: 58644-54-5) belongs to amides. Amides can be viewed as a derivative of a carboxylic acid RC(=O)OH with the hydroxyl group –OH replaced by an amine group −NR′R″; or, equivalently, an acyl (alkanoyl) group RC(=O)− joined to an amine group. The presence of the amide group –C(=O)N– is generally easily established, at least in small molecules. It can be distinguished from nitro and cyano groups in IR spectra. Amides exhibit a moderately intense νCO band near 1650 cm−1. By 1H NMR spectroscopy, CONHR signals occur at low fields. In X-ray crystallography, the C(=O)N center together with the three immediately adjacent atoms characteristically define a plane.Application of 58644-54-5

Structural studies on bioactive compounds. 4. A structure-antitumor activity study on analogs of N-methylformamide was written by Gate, E. Nicholas;Threadgill, Michael D.;Stevens, Malcolm F. G.;Chubb, David;Vickers, Lisa M.;Langdon, Simon P.;Hickman, John A.;Gescher, Andreas. And the article was included in Journal of Medicinal Chemistry in 1986.Application of 58644-54-5 This article mentions the following:

HCONHR (R = Me, CD3, Et, CH2CH2Cl, cyclopropyl, CH2CF3, CH2OH, CH2OEt, CH2NMe2), HCONRMe (R = Me, CH2OH, CH2OAc, CH2OBz), R1CONHMe (R1 = Me, CF3, Ph, NHMe), R1CONMe2 (R1 = Me, NMe2), R1CONHCH2OH (R1 = CCl3, Ph), HCONMeOH, H2NCONHOH, R1CSNMe2 (R1 = H, NMe2), (MeNH)2CS, (MeNH)2C:NH, RR2NC(:X)H [R, R2 = H, Me; RR2 = CH2CH2OCH2CH2; X = CHNO2, C(CN)2, CMeCHO] were prepared These compounds have been tested for activity against the M5076 ovarian sarcoma and the TLX5 lymphoma in mice. HCONHMe was by far the most potent agent with activity against both tumors. Some other compounds showed weak activity, but there is a rigorous structural requirement for activity and most analogs were inactive. Certain members of the series exist as equilibrium mixtures of rotamers about the amide or pro-amide bonds as shown by NMR. In the experiment, the researchers used many compounds, for example, N-Cyclopropylformamide (cas: 58644-54-5Application of 58644-54-5).

N-Cyclopropylformamide (cas: 58644-54-5) belongs to amides. Amides can be viewed as a derivative of a carboxylic acid RC(=O)OH with the hydroxyl group –OH replaced by an amine group −NR′R″; or, equivalently, an acyl (alkanoyl) group RC(=O)− joined to an amine group. The presence of the amide group –C(=O)N– is generally easily established, at least in small molecules. It can be distinguished from nitro and cyano groups in IR spectra. Amides exhibit a moderately intense νCO band near 1650 cm−1. By 1H NMR spectroscopy, CONHR signals occur at low fields. In X-ray crystallography, the C(=O)N center together with the three immediately adjacent atoms characteristically define a plane.Application of 58644-54-5

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

Schindler, John F. et al. published their research in Journal of Medicinal Chemistry in 1998 | CAS: 58644-54-5

N-Cyclopropylformamide (cas: 58644-54-5) belongs to amides. Compared to amines, amides are very weak bases and do not have clearly defined acid–base properties in water. On the other hand, amides are much stronger bases than esters, aldehydes, and ketones. Amides can be recrystallised from large quantities of water, ethanol, ethanol/ether, aqueous ethanol, chloroform/toluene, chloroform or acetic acid. The likely impurities are the parent acids or the alkyl esters from which they have been made. The former can be removed by thorough washing with aqueous ammonia followed by recrystallisation, whereas elimination of the latter is by trituration or recrystallisation from an organic solvent.Related Products of 58644-54-5

Inhibition of Human Alcohol Dehydrogenases by Formamides was written by Schindler, John F.;Berst, Kristine B.;Plapp, Bryce V.. And the article was included in Journal of Medicinal Chemistry in 1998.Related Products of 58644-54-5 This article mentions the following:

Human alc. dehydrogenase (HsADH) comprises class I (α, β, and γ), class II (π), and class IV (σ) enzymes. Selective inhibitors of the enzymes could be used to prevent the metabolism of alcs. that form toxic products. Formamides are unreactive analogs of aldehydes and bind to the enzyme-NADH complex [Ramaswamy, S.; Scholze, M.; Plapp, B. V. Biochem. 1997, 36, 3522-3527]. They are uncompetitive inhibitors against varied concentrations of alc., and this makes them effective even with saturating concentrations of alcs. Mol. modeling led to the design and synthesis of a series of cyclic, linear, and disubstituted formamides. Evaluation of 23 compounds provided structure-function information and selective inhibitors for the enzymes, which have overlapping but differing substrate specificities. Monosubstituted formamides are good inhibitors of class I and II enzymes, and disubstituted formamides are selective for the α enzyme. Selective inhibitors, with Ki values at pH 7 and 25 °C of 0.33-0.74 μM, include N-cyclopentyl-N-cyclobutylformamide for HsADH α, N-benzylformamide for HsADH β1, N-1-methylheptylformamide for HsADH γ2, and N-heptylformamide for HsADH σ and HsADH β1. In the experiment, the researchers used many compounds, for example, N-Cyclopropylformamide (cas: 58644-54-5Related Products of 58644-54-5).

N-Cyclopropylformamide (cas: 58644-54-5) belongs to amides. Compared to amines, amides are very weak bases and do not have clearly defined acid–base properties in water. On the other hand, amides are much stronger bases than esters, aldehydes, and ketones. Amides can be recrystallised from large quantities of water, ethanol, ethanol/ether, aqueous ethanol, chloroform/toluene, chloroform or acetic acid. The likely impurities are the parent acids or the alkyl esters from which they have been made. The former can be removed by thorough washing with aqueous ammonia followed by recrystallisation, whereas elimination of the latter is by trituration or recrystallisation from an organic solvent.Related Products of 58644-54-5

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

Schoellkopf, Ulrich et al. published their research in Justus Liebigs Annalen der Chemie in 1976 | CAS: 58644-54-5

N-Cyclopropylformamide (cas: 58644-54-5) belongs to amides. Amides are pervasive in nature and technology. Proteins and important plastics like Nylons, Aramid, Twaron, and Kevlar are polymers whose units are connected by amide groups (polyamides); these linkages are easily formed, confer structural rigidity, and resist hydrolysis. The presence of the amide group –C(=O)N– is generally easily established, at least in small molecules. It can be distinguished from nitro and cyano groups in IR spectra. Amides exhibit a moderately intense νCO band near 1650 cm−1. By 1H NMR spectroscopy, CONHR signals occur at low fields. In X-ray crystallography, the C(=O)N center together with the three immediately adjacent atoms characteristically define a plane.Category: amides-buliding-blocks

Syntheses with α-metalated isocyanides, XXXI. 2-Oxazolines from α-metalated isocyanides and carbonyl compounds. A new synthesis of β-amino alcohols was written by Schoellkopf, Ulrich;Gerhart, Fritz;Hoppe, Inga;Harms, Ruediger;Hantke, Kurt;Scheunemann, Karl D.;Eilers, Eberhard;Blume, Ernst. And the article was included in Justus Liebigs Annalen der Chemie in 1976.Category: amides-buliding-blocks This article mentions the following:

α-Metalated isocyanides MCRR1NC [R = H, Me, Ph; R1 = H, Me, Ph, 4-MeOC6H4, pyridyl, PhS, PhCH2S, 4-MeC6H4S; RR1 = (CH2)2, (CH2)5 M = Li, K], prepared from HCRR1NC and BuLi, KOCMe3, or Li tetramethylpiperidide in THF, reacted at ∼-70° with carbonyl compounds R2COR3 [ R2 = e.g., Ph, PhCH:CH, H, 4-F3CC6H4; R3 = H, Me, Ph; R2R3 = (CH2)5] to give adducts MOCR2R3CRR1NC (I), which are in equilibrium with 2-metalated oxazolines II. Addition of MeOH to the reaction mixture gave oxazolines III, which are readily hydrolyzed to give β-amine alcs. III are preferably lithiated with BuLi in the 2 position. Depending on the electrophile, trapping experiments gave derivatives of either I or II. In the experiment, the researchers used many compounds, for example, N-Cyclopropylformamide (cas: 58644-54-5Category: amides-buliding-blocks).

N-Cyclopropylformamide (cas: 58644-54-5) belongs to amides. Amides are pervasive in nature and technology. Proteins and important plastics like Nylons, Aramid, Twaron, and Kevlar are polymers whose units are connected by amide groups (polyamides); these linkages are easily formed, confer structural rigidity, and resist hydrolysis. The presence of the amide group –C(=O)N– is generally easily established, at least in small molecules. It can be distinguished from nitro and cyano groups in IR spectra. Amides exhibit a moderately intense νCO band near 1650 cm−1. By 1H NMR spectroscopy, CONHR signals occur at low fields. In X-ray crystallography, the C(=O)N center together with the three immediately adjacent atoms characteristically define a plane.Category: amides-buliding-blocks

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

Karpun, Yevhen et al. published their research in Pharmacia (Sofia, Bulgaria) in 2021 |CAS: 79-07-2

The Article related to antimicrobial activity bistriazole thione microorganism, Placeholder for records without volume info and other aspects.Related Products of 79-07-2

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

The Article related to antimicrobial activity bistriazole thione microorganism, Placeholder for records without volume info and other aspects.Related Products of 79-07-2

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

Threlfall, T. et al. published their research in Vibrational Spectroscopy in 2022 |CAS: 79-07-2

The Article related to primary carboxamide stretching vibration ir spectra, Placeholder for records without volume info and other aspects.Related Products of 79-07-2

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

The Article related to primary carboxamide stretching vibration ir spectra, Placeholder for records without volume info and other aspects.Related Products of 79-07-2

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

Kuznetsova, Ksenia G. et al. published their research in Journal of Proteomics in 2021 |CAS: 79-07-2

The Article related to cysteine alkylation methionine shotgun proteomics, Placeholder for records without volume info and other aspects.Category: amides-buliding-blocks

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

The Article related to cysteine alkylation methionine shotgun proteomics, Placeholder for records without volume info and other aspects.Category: amides-buliding-blocks

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

Huang, Linjie et al. published their research in Macromolecular Chemistry and Physics in 2020 |CAS: 79-07-2

The Article related to polypeptide thermoresponsive polymer ucst, Placeholder for records without volume info and other aspects.Related Products of 79-07-2

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

The Article related to polypeptide thermoresponsive polymer ucst, Placeholder for records without volume info and other aspects.Related Products of 79-07-2

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

Zahoranszky-Kohalmi, Gergely et al. published their research in Journal of Chemical Information and Modeling in 2022 |CAS: 79-07-2

The Article related to synthesis graphs pruning algorithm, Placeholder for records without volume info and other aspects.Reference of 2-Chloroacetamide

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

The Article related to synthesis graphs pruning algorithm, Placeholder for records without volume info and other aspects.Reference of 2-Chloroacetamide

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

Mutlu, Adem et al. published their research in ACS Omega in 2022 |CAS: 79-07-2

The Article related to charge transport optimization triple cation perovskite solar cell, Placeholder for records without volume info and other aspects.SDS of cas: 79-07-2

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

The Article related to charge transport optimization triple cation perovskite solar cell, Placeholder for records without volume info and other aspects.SDS of cas: 79-07-2

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

Zazharskyi, V. et al. published their research in Voprosy Khimii i Khimicheskoi Tekhnologii in 2020 |CAS: 79-07-2

The Article related to bromofuranylmethyltriazolthiol s derivative physicochem property, Placeholder for records without volume info and other aspects.Reference of 2-Chloroacetamide

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

The Article related to bromofuranylmethyltriazolthiol s derivative physicochem property, Placeholder for records without volume info and other aspects.Reference of 2-Chloroacetamide

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