Month: November 2022

Pandey, Pragati published the artcileHydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex, HPLC of Formula: 1453-82-3, the publication is Chemical Communications (Cambridge, United Kingdom) (2021), 57(73), 9204-9207, database is CAplus and MEDLINE.

A terminal [Ni-OH] complex 1, supported by triflamide-functionalized NHC ligands, catalyzes the hydrosilylative reduction of a range of primary amides into primary amines in good to excellent yields under base-free conditions with key functional group tolerance. Catalyst 1 is also effective for the reduction of a variety of tertiary and secondary amides. In contrast to literature reports, the reactivity of 1 towards amide reduction follows an inverse trend, i.e., 1° amide > 3° amide > 2° amide. The reaction does not follow a usual dehydration pathway.

Chemical Communications (Cambridge, United Kingdom) published new progress about 1453-82-3. 1453-82-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is Isonicotinamide, and the molecular formula is C6H6N2O, HPLC of Formula: 1453-82-3.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Soukup, Ondrej published the artcileThe wide-spectrum antimicrobial effect of novel N-alkyl monoquaternary ammonium salts and their mixtures; the QSAR study against bacteria, SDS of cas: 1453-82-3, the publication is European Journal of Medicinal Chemistry (2020), 112584, database is CAplus and MEDLINE.

In this study we have prepared 43 novel N-alkyl monoquaternary ammonium salts including 7 N,N-dialkyl monoquaternary ammonium salts differing bearing alkyl chain either of 12, 14 or 16 carbons. Together with 15 already published QASs we have studied the antimicrobial efficacy of all water-soluble compounds together with standard benzalkonium salts against Gram-pos. (G+) and Gram-neg. (G-) bacteria, anaerobic spore-forming Cl. difficile, yeasts, filamentous fungi and enveloped Varicella zoster virus (VZV). To address the mechanism of action, lipophilicity seems to be a key parameter which determines antimicrobial efficacy, however, exceptions are likely to occur and therefore QSAR anal. on the efficacy against G+ and G- bacteria was applied. We showed that antibacterial activity is higher when the mol. is larger, more lipophilic, less polar, and contains fewer oxygen atoms, fewer Me groups bound to heteroatoms or fewer hydrogen atoms bound to polarized carbon atoms. In addition, from an application point of view, we have formulated mixtures, on the basis of obtained efficiency of individual compounds, in order to receive wide-spectrum agent. All formulated mixtures completely eradicated tested G+ and G- strains, including the multidrug-resistant P. aeruginosa as well as in case of yeasts. Finally, 3 out of 4 formulated mixtures were safer than reference com. agent based on benzalkonium salts only in the skin irritation test using reconstructed human epidermidis.

European Journal of Medicinal Chemistry published new progress about 1453-82-3. 1453-82-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is Isonicotinamide, and the molecular formula is C8H7N3, SDS of cas: 1453-82-3.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Colombo, Andrea published the artcileThe proposal of architecture for chemical splitting to optimize QSAR models for aquatic toxicity, Application of 2,4-Dichlorobenzamide, the publication is Chemosphere (2008), 72(5), 772-780, database is CAplus and MEDLINE.

One of the challenges in the field of quant. structure-activity relationship (QSAR) anal. is the correct classification of a chem. compound to an appropriate model for the prediction of activity. Thus, in previous studies, compounds have been divided into distinct groups according to their mode of action or chem. class. In the current study, theor. mol. descriptors were used to divide 568 organic substances into subsets with toxicity measured for the 96-h lethal median concentration for the Fathead minnow (Pimephales promelas). Simple constitutional descriptors such as the number of aliphatic and aromatic rings and a quantum chem. descriptor, maximum bond order of a carbon atom divide compounds into nine subsets. For each subset of compounds the automatic forward selection of descriptors was applied to construct QSAR models. Significant correlations were achieved for each subset of chems. and all models were validated with the leave-one-out internal validation procedure (R²_cv ≈ 0.80). The results encourage to consider this alternative way for the prediction of toxicity using QSAR subset models without direct reference to the mechanism of toxic action or the traditional chem. classification.

Chemosphere published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Application of 2,4-Dichlorobenzamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Vivier, Delphine published the artcileDevelopment of the First Two-Pore Domain Potassium Channel TWIK-Related K⁺ Channel 1-Selective Agonist Possessing in Vivo Antinociceptive Activity, Product Details of C5H8N2O, the publication is Journal of Medicinal Chemistry (2017), 60(3), 1076-1088, database is CAplus and MEDLINE.

The TWIK-Related K⁺ channel, TREK-1, has recently emerged as an attractive therapeutic target for the development of a novel class of analgesic drugs, suggesting that activation of TREK-1 could result in pain inhibition. Here the authors report the synthesis of a series of substituted acrylic acids (1-54) based on the previous work with caffeate esters. The analogs were evaluated for their ability to modulate TREK-1 channel by electrophysiol. and for their in vivo antinociceptive activity (acetic acid-induced writhing and hot-plate assays), leading to the identification of a series of novel mols. able to activate TREK-1 and displaying potent antinociceptive activity in vivo. The furyl analog I is the most promising of these series.

Journal of Medicinal Chemistry published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C13H24INO4, Product Details of C5H8N2O.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Donetti, Arturo published the artcileMild and effective two-step conversion of disubstituted cyanamides to secondary amines, SDS of cas: 2451-91-4, the publication is Journal of Organic Chemistry (1972), 37(21), 3352-3, database is CAplus.

A convenient procedure was developed to convert disubstituted cyanamides into secondary amines under mild conditions. Disubstituted cyanamides, R2NCN were obtained from the halides and Na cyanamide in Me2SO. Equimolar amounts of R2NCN and KCN refluxed in MeOH, gave the intermediate o-methylisoureas, which were hydrolyzed to secondary amines with dilute HOAc.

Journal of Organic Chemistry published new progress about 2451-91-4. 2451-91-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Benzene, name is N,N-Dibenzylcyanamide, and the molecular formula is C15H14N2, SDS of cas: 2451-91-4.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Dijkman, R. published the artcileAn affinity column for phospholipase A₂ based on immobilized acylaminophospholipid analogs, HPLC of Formula: 1869-45-0, the publication is Biochimica et Biophysica Acta, Lipids and Lipid Metabolism (1997), 1347(1), 1-8, database is CAplus and MEDLINE.

A synthetic route was developed to prepare 2-acylamino phospholipid analogs suitable for immobilization. The inhibitors, synthesized in either the (R)- and (S)-configuration, carried an ω-carboxyl group in one acyl chain for immobilization to the matrix. As a matrix Sepharose 6B, derivatized with a polar, non-charged 16 atom spacer was used. Low-mol. weight phospholipase A₂ binds in a calcium-dependent way to the immobilized (S)-inhibitor and not to the immobilized (R)-inhibitor which shows that binding involves specific active site interactions rather than hydrophobic chromatog. The specificity was further demonstrated by the fact that the immobilized (S)-inhibitor binds porcine pancreatic and snake venom phospholipases A₂, but not the porcine pancreatic zymogen. Moreover, a mutant porcine pancreatic phospholipase A₂ in which the active side residue His48 has been replaced by Gln, was not bound by the column. This column material might be applicable for affinity purification of phospholipase A₂ and for screening of phage display libraries.

Biochimica et Biophysica Acta, Lipids and Lipid Metabolism published new progress about 1869-45-0. 1869-45-0 belongs to amides-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is 2,2,2-Trifluoro-N-(2-mercaptoethyl)acetamide, and the molecular formula is C4H6F3NOS, HPLC of Formula: 1869-45-0.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Kleinpeter, E. published the artcileDynamic NMR studies of the restricted rotation at the NC(X) bonding fragment. XV. Influence of the rotational barrier in the NR₂C(X)R¹ bonding fragment by electronic and steric substituent effects, Quality Control of 14294-10-1, the publication is Journal fuer Praktische Chemie (Leipzig) (1982), 324(1), 29-45, database is CAplus.

Rotational barriers (ΔG^⧧) about the partial C-N double bond in R₂NCXR¹ [R₂N = Me₂N, Et₂N, (Me₂CHCH₂)₂N, Bu₂N, 1-pyrrolidinyl, (PhCH₂)₂N, piperidino, morpholino, hexahydro-1-azepinyl; X = O, S, Se; R¹ = NHBz, NH₂, SCH₂CO₂H, SCH₂CH₂CO₂H, CH₂COPh] were determined The electronic and steric effects of R¹ were discussed. The steric demand of R¹ decreased in the following order: NH₂ > carboxyalkylthio > CH₂COPh (enol form) ≫ NHBz.

Journal fuer Praktische Chemie (Leipzig) published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, Quality Control of 14294-10-1.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Munawar, Ali published the artcileDiscovery of novel druggable sites on zika virus NS3 helicase using X-ray crystallography-based fragment screening, Category: amides-buliding-blocks, the publication is International Journal of Molecular Sciences (2018), 19(11), 3664/1-3664/15, database is CAplus and MEDLINE.

The flavivirus family contains several important human pathogens, such as Zika virus (ZIKV), dengue, West Nile, and Yellow Fever viruses, that collectively lead to a large, global disease burden. Currently, there are no approved medicines that can target these viruses. The sudden outbreak of ZIKV infections in 2015-2016 posed a serious threat to global public health. While the epidemic has receded, persistent reservoirs of ZIKV infection can cause reemergence. Here, we have used X-ray crystallog.-based screening to discover two novel sites on ZIKV NS3 helicase that can bind drug-like fragments. Both sites are structurally conserved in other flaviviruses, and mechanistically significant. The binding poses of four fragments, two for each of the binding sites, were characterized at at. precision. Site A is a surface pocket on the NS3 helicase that is vital to its interaction with NS5 polymerase and formation of the flaviviral replication complex. Site B corresponds to a flexible, yet highly conserved, allosteric site at the intersection of the three NS3 helicase domains. Saturation transfer difference NMR (NMR) experiments were addnl. used to evaluate the binding strength of the fragments, revealing dissociation constants (KD) in the lower mM range. We conclude that the NS3 helicase of flaviviruses is a viable drug target. The data obtained open opportunities towards structure-based design of first-in-class anti-ZIKV compounds, as well as pan-flaviviral therapeutics.

International Journal of Molecular Sciences published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Category: amides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Kamjunke, Norbert published the artcileLagrangian profiles of riverine autotrophy, organic matter transformation, and micropollutants at extreme drought, Application In Synthesis of 137862-53-4, the publication is Science of the Total Environment (2022), 154243, database is CAplus and MEDLINE.

On their way from inland to the ocean, flowing water bodies, their constituents and their biotic communities are exposed to complex transport and transformation processes. However, detailed process knowledge as revealed by Lagrangian measurements adjusted to travel time is rare in large rivers, in particular at hydrol. extremes. To fill this gap, we investigated autotrophic processes, heterotrophic carbon utilization, and micropollutant concentrations applying a Lagrangian sampling design in a 600 km section of the River Elbe (Germany) at historically low discharge. Under base flow conditions, we expect the maximum intensity of instream processes and of point source impacts. Phytoplankton biomass and photosynthesis increased from upstream to downstream sites but maximum chlorophyll concentration was lower than at mean discharge. Concentrations of dissolved macronutrients decreased to almost complete phosphate depletion and low nitrate values. The longitudinal increase of bacterial abundance and production was less pronounced than in wetter years and bacterial community composition changed downstream. Mol. analyses revealed a longitudinal increase of many DOM components due to microbial production, whereas saturated lipid-like DOM, unsaturated aromatics and polyphenols, and some CHOS surfactants declined. In decomposition experiments, DOM components with high O/C ratios and high masses decreased whereas those with low O/C ratios, low masses, and high nitrogen content increased at all sites. Radiocarbon age analyses showed that DOC was relatively old (890-1870 years B.P.), whereas the mineralized fraction was much younger suggesting predominant oxidation of algal lysis products and exudates particularly at downstream sites. Micropollutants determining toxicity for algae (terbuthylazine, terbutryn, isoproturon and lenacil), hexachlorocyclohexanes and DDTs showed higher concentrations from the middle towards the downstream part but calculated toxicity was not neg. correlated to phytoplankton. Overall, autotrophic and heterotrophic process rates and micropollutant concentrations increased from up- to downstream reaches, but their magnitudes were not distinctly different to conditions at medium discharges.

Science of the Total Environment published new progress about 137862-53-4. 137862-53-4 belongs to amides-buliding-blocks, auxiliary class GPCR/G Protein,Angiotensin Receptor, name is (S)-2-(N-((2′-(1H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid, and the molecular formula is C24H29N5O3, Application In Synthesis of 137862-53-4.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Jones, Eleanor C. L. published the artcilePressure-induced superelastic behaviour of isonicotinamide, Application In Synthesis of 1453-82-3, the publication is Chemical Communications (Cambridge, United Kingdom) (2021), 57(89), 11827-11830, database is CAplus and MEDLINE.

Dynamic organic crystals have come to the fore as potential lightweight alternatives to inorganic actuators providing high weight-to-force ratios. We have observed pressure-induced superelastic behavior in Form I of isonicotinamide. The reversible single-crystal to single-crystal transformation exhibited by the system is an important component for functioning actuators. Crucially, our observations have enabled us to propose a mechanism for the mol. movement supported by Pixel energy calculations, that may pave the way for the future design and development of functioning dynamic crystals.

Chemical Communications (Cambridge, United Kingdom) published new progress about 1453-82-3. 1453-82-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is Isonicotinamide, and the molecular formula is C6H6N2O, Application In Synthesis of 1453-82-3.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics