Tag: 200-300

On June 19, 2020, Sandler, Isolde; Larik, Fayaz Ali; Mallo, Neil; Beves, Jonathon E.; Ho, Junming published an article.Quality Control of 1,3-Diphenylurea The title of the article was Anion Binding Affinity: Acidity versus Conformational Effects. And the article contained the following:

High-level quantum chem. calculations were used to elucidate the gas- and solution-phase conformational equilibrium for a series of sym. substituted (thio)ureas, (thio)squaramides, and croconamides. Gas-phase calculations predict that the thermodn. conformer of many of these anion receptors is not the dual-hydrogen-bond-facilitating anti-anti conformer as is commonly assumed. For N,N’-diaryl thiosquaramides and croconamides, the syn-syn conformer is typically the predominant conformer. Solution-phase calculations show that the anti-anti conformer is increasingly stabilized as the polarity of the solvent increases. However, the syn-syn conformer remains the lowest energy conformation for croconamides. These predictions are used to explain the acidity vs. chloride binding affinity correlations recently reported for some of these compounds The chloride binding constants for thioureas and croconamides are significantly lower than expected on the basis of their pKa values, and this may be due in part to the need for these receptors to reorganize into the anti-anti conformer. Exptl. NMR nuclear Overhauser effect (NOE) measurements of an asym. substituted squaramide and its thio analog are consistent with the syn-syn conformation being predominant at 298 K. The conformational equilibrium should therefore be an important consideration for the design and development of future anion receptors and organocatalysts. The experimental process involved the reaction of 1,3-Diphenylurea(cas: 102-07-8).Quality Control of 1,3-Diphenylurea

The Article related to urea thiourea squaramide thiosquaramide croconamide, receptor anion binding affinity acidity conformational effect, Physical Organic Chemistry: Other Reactions, Processes, and Spectra and other aspects.Quality Control of 1,3-Diphenylurea

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

On February 21, 2020, Nanda, Tanmayee; Ravikumar, P. C. published an article.Quality Control of 1,3-Diphenylurea The title of the article was A Palladium-Catalyzed Cascade C-C Activation of Cyclopropenone and Carbonylative Amination: Easy Access to Highly Functionalized Maleimide Derivatives. And the article contained the following:

We describe herein the first report on palladium-catalyzed C-C bond activation of cyclopropenone and concomitant carbonylative amination to produce maleimides. The interesting aspect of this reaction is that the sacrificial elimination of carbon monoxide from the substrate is efficiently recaptured by one of the intermediates in the catalytic cycle for the formation of maleimides. 18O isotopic studies confirmed that the source of carbon monoxide is from cyclopropenone. The experimental process involved the reaction of 1,3-Diphenylurea(cas: 102-07-8).Quality Control of 1,3-Diphenylurea

The Article related to palladium catalyzed cascade decarbonylation carbonylative amination cyclopropenone, maleimide synthesis, Heterocyclic Compounds (One Hetero Atom): Pyrroles and Pyrrolizines and other aspects.Quality Control of 1,3-Diphenylurea

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

On May 31, 2010, Yoshida, Tatsusada; Munei, Yohei; Hitaoka, Seiji; Chuman, Hiroshi published an article.Recommanded Product: 3-Nitro-4-chlorobenzenesulfonamide The title of the article was Correlation Analyses on Binding Affinity of Substituted Benzenesulfonamides with Carbonic Anhydrase Using ab Initio MO Calculations on Their Complex Structures. And the article contained the following:

Quant. structure-activity relationship analyses on the free energy change during complex formation between substituted benzenesulfonamides (BSAs) and bovine carbonic anhydrase II (bCA II) were performed using generalized Born/surface area (GB/SA) and ab initio fragment MO (FMO) calculations for the whole complex structures. The result shows that the overall free energy change is governed by the contribution from solvation and dissociation free energy changes accompanying complex formation. The FMO-IFIE (interfragment interaction energy) anal. quant. revealed that the intrinsic interaction energy of bCA II with BSAs is mostly from interactions with amino acid residues in the active site of bCA II. The “Zn block” (Zn2+ and three histidine residues coordinated to Zn2+) in the active site shows the lowest interaction energy and the greatest variance of interaction energy with BSAs through their coordination interaction. The proposed procedure was demonstrated to provide a quant. basis for understanding a ligand-protein interaction at electronic and at. levels. The experimental process involved the reaction of 3-Nitro-4-chlorobenzenesulfonamide(cas: 97-09-6).Recommanded Product: 3-Nitro-4-chlorobenzenesulfonamide

The Article related to binding affinity model benzenesulfonamide derivative carbonic anhydrase, Enzymes: Substrates-Cofactors-Inhibitors-Activators-Coenzymes-Products and other aspects.Recommanded Product: 3-Nitro-4-chlorobenzenesulfonamide

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

On July 31, 1981, Kumar, Kamal; Bindal, Mahesh C.; Singh, Prithvi; Gupta, Satya P. published an article.SDS of cas: 97-09-6 The title of the article was Effect of molecular size on carbonic anhydrase inhibition by sulfonamides. And the article contained the following:

Mol. size plays an important role in carbonic anhydrase inhibition by sulfonamides. Significant correlation is obtained between the inhibitory power of meta-substituted analogs and the van der Waals volume of the substituents. This provides a theor. basis for mapping the active sites in the enzyme and determining the nature of sulfonamide-receptor binding. It is inferred that, in addition to the well-known binding of the sulfamyl group with the Zn2+ ion of the enzyme, the meta substituent of sulfonamides interacts with some secondary binding site; this interaction is argued to be of van der Waals type. The experimental process involved the reaction of 3-Nitro-4-chlorobenzenesulfonamide(cas: 97-09-6).SDS of cas: 97-09-6

The Article related to carbonic anhydrase inhibition sulfonamide mol volume, Enzymes: Substrates-Cofactors-Inhibitors-Activators-Coenzymes-Products and other aspects.SDS of cas: 97-09-6

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

On January 1, 2011, Munei, Yohei; Shimamoto, Kazunori; Harada, Masataka; Yoshida, Tatsusada; Chuman, Hiroshi published an article.Computed Properties of 97-09-6 The title of the article was Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II). And the article contained the following:

We proposed a novel QSAR (quant. structure-activity relationship) procedure called LERE (linear expression by representative energy terms)-QSAR involving mol. calculations such as ab initio fragment MO and generalized Born/surface area ones. We applied LERE-QSAR to two datasets for the free-energy changes during complex formation between carbonic anhydrase and a series of substituted benzenesulfonamides. The first compound set (Set I) and the second one (Set II) include relatively small substituents and alkyl chains of different lengths in the benzene ring, resp. Variation of the inhibitory activity in Set I is expressed as the combination of Hammett σ and the hydrophobic substituent constant π in classical QSAR, and variation in Set II only by π. LERE-QSAR analyses clearly revealed that effects of σ and π on the activity variations in Sets I and II are consistently explainable with the energy terms in the LERE formulation, and provide more detailed and direct information as to the binding mechanism. The proposed procedure was demonstrated to provide a quant. basis for understanding ligand-protein interactions at the electronic and at. levels. The experimental process involved the reaction of 3-Nitro-4-chlorobenzenesulfonamide(cas: 97-09-6).Computed Properties of 97-09-6

The Article related to benzenesulfonamide carbonic anhydrase ab initio mo, Enzymes: Substrates-Cofactors-Inhibitors-Activators-Coenzymes-Products and other aspects.Computed Properties of 97-09-6

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

On June 30, 1995, Cash, Gordon G. published an article.Safety of 3-Nitro-4-chlorobenzenesulfonamide The title of the article was Prediction of inhibitory potencies of arenesulfonamides toward carbonic anhydrase using easily calculated molecular connectivity indices. And the article contained the following:

Previous literature reports described the correlation of arenesulfonamide inhibitory potency toward carbonic anhydrase with a quantum mech. descriptor, namely, the total charge on the sulfonamide oxygens, and an indicator variable. The present paper attempts to correlate the same inhibitory potency data with the much more easily calculated mol. connectivity indexes (MCIs) for the same set of compounds A good (r = 0.91) two-variable correlation was found for an subset, from which compounds with a certain structural characteristic had been excluded. This result is consistent with many previous reports that MCIs do well in predicting relative biol. activities of a homologous series of compounds but less well for groups of compounds that differ at several sites. The experimental process involved the reaction of 3-Nitro-4-chlorobenzenesulfonamide(cas: 97-09-6).Safety of 3-Nitro-4-chlorobenzenesulfonamide

The Article related to carbonic anhydrase inhibitor arenesulfonamide qsar, Enzymes: Substrates-Cofactors-Inhibitors-Activators-Coenzymes-Products and other aspects.Safety of 3-Nitro-4-chlorobenzenesulfonamide

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

On November 22, 2019, Sulake, Rohidas Shivaji; Mitra, Rangan; Kadam, Navnath Ambadas; Siyan, Rajinder Singh; Bhise, Nandu Baban; Singh, Girij Pal published a patent.HPLC of Formula: 5455-98-1 The title of the patent was Process for preparation of Neratinib intermediates. And the patent contained the following:

The present invention relates to a process for the preparation of Neratinib intermediates of compound I and compound II [X = halo]. The process involves reaction of compound III [LG = a leaving group] with acetonitrile to yield compound IV [LG is as defined above], reaction of IV with dimethylacetamide to yield compound V [LG is as defined above]; cyclizing V to yield compound VI; halogenation of VI to yield compound VII [X = halo] and reduction of VII to yield II [X = halo]; optionally II can be protected to yield compound VIII [X = halo]. E.g., a multi-step synthesis of VIII [X = Cl], starting from III [LG = OEt] (preparation given) and acetonitrile, was described. The process for the preparation of compound I which comprises the steps of: (a) reacting compound IX [R = alkyl] with alkyl acetate to give compound X [R = alkyl], (b) reducing X 7 in the presence of reducing agent to obtain a compound XI [R = alkyl], and (c) converting XI to compound I, was disclosed. For example, reacting IX [R = Et] with tert-Bu acetate followed by reducing X [R = Et] using NaBH4, and treating XI [R = Et] with Et3N, MsCl in DCM, and hydrolysis of resulting tert-Bu (E)-4-(dimethylamino)but-2-enoate in EtOAc-HCl solution afforded I.HCl. The experimental process involved the reaction of 2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione(cas: 5455-98-1).HPLC of Formula: 5455-98-1

The Article related to neratinib intermediate preparation, Heterocyclic Compounds (One Hetero Atom): Quinolines and Isoquinolines and other aspects.HPLC of Formula: 5455-98-1

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

Siddique, Nadeem Ahmad; Mujeeb, Mohd.; Najmi, Abul Kalam; Aftab, A.; Aslam, Junaid published an article in 2011, the title of the article was Free radical scavenging and hepatoprotective activity of Aegle marmelos (Linn.) corr leaves against carbon tetrachloride.Related Products of 456-12-2 And the article contains the following content:

Aegle marmelos L. belongs to the family Rutaceae; an important medicinal plant being used in the folk therapy. It is the most useful medicinal plant of India. Its medicinal properties have been described in the ancient medical literature. All parts of the tree (stem, bark, root, leaves and fruit at all stages of maturity) have medicinal virtues and have been used as medicine for a long time. A number of chem. constituents have been isolated from various plant parts including alkaloids, coumarin and steroids. The leaves contain skimianinc, sterol and aegelin. In the present investigation antioxidant and hepatoprotective activity of the methanolic extract of A. marmelos leaves (MEAML) was examined on carbon tetrachloride (CCl4) intoxicated rats. MEAML hold considerable amount of phenolic (9.8367 ± 0.0235 mg/kg) and flavonoid (8.248 ± 0.029 mg/kg) contents, which confirmed the antioxidant property of the leaves. The MEAML with different doses (50, 100, 200 mg/kg body weight) and standard silymarin (40 mg/kg body weight) were orally administered to CCl4 treated rats and the effect was studied on serum enzymes [(aspartate transaminase (AST), alanine transaminase (ALT), alk. phosphatase (ALP), and bilurubin, protein, albumin, thiobarbutiric acid (TBARS), reduced glutathione (GSH)]. In addition, in-vitro antioxidant activity of MEAML was also evaluated using 1,1-diphenyl-2-picryl hydrazyl (DPPH) radical. We noticed a significant hepatoprotective activity of MEAML on CCl4 intoxicated rats which support folkloric utilization of A. marmelos, and it was further confirmed by the histol. investigation. The findings of the present investigation revealed that the MEAML possess significant hepatoprotective activity by suppressing CCl4 induced cellular oxidative stress. The experimental process involved the reaction of N-(2-Hydroxy-2-(4-methoxyphenyl)ethyl)cinnamamide(cas: 456-12-2).Related Products of 456-12-2

The Article related to oxidative stress, hepatoprotectant free radical scavenger aegle leaf carbon tetrachloride antioxidant, Pharmacology: Other (All Agents and Effects Not Otherwise Assignable) and other aspects.Related Products of 456-12-2

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

Mala, S. Kumar; Priya, Antony P.; Bincy, Baby; Nazeem, P. A. published an article in 2015, the title of the article was Bioactive compounds to target anti apoptotic proteins- Bcl 2 and Bcl XL an in silico approach.Formula: C18H19NO3 And the article contains the following content:

Phytochems. from several herbaceous and spice plants have been reported to have defense properties against various diseases. Potential of some of such plants like Allium sativum, Curcuma longa, Boerhaavia diffusa, Pterocarpus marsupium and Zingiber officinale in cancer therapy has already been proved. The state of Kerala in southern India hosts large number of medicinal herbs and is also referred as a hotspot of biodiversity. The current study aimed at computational screening of potent lead mols. from ten selected medicinal plants and five spices widely used in Kerala, which are rich in biol. diversity and its traditional values. Even though, the anticancer properties of all these plants and spices were reported, their mode of action and target mols. is not well explained. Hence, the interaction of these compounds with anti-apoptotic proteins Bcl-2 and Bcl-XL are studied and discussed in this paper. The -CDOCKER energy, -CDOCKER interaction energy, Hydrogen bonds, binding energy, and complex energy were predicted through mol. docking studies. Based on binding energy and CDOCKER scores, the active components of Pterocarpus marsupium, Aegle marmelos, Pseudarthira viscida, Allium sativum, Phyllanthus amarus, Boerhaavia diffusa and Catharanthus roseus were observed to have strong interaction with both the proteins. Pharmacokinetic anal. such as absorption, solubility, BBB penetration, and toxicity were also performed for these compounds Comparative docking anal. showed higher interaction than the known inhibitors such as Obatoclax and apogossypolone. Finally, the lead mols. were screened based on their hepatotoxicity. Ten of them passed the anal. and some with high binding energy failed to do so. The lead mols. identified and their probable functional groups could be further reported to transform them as potential anti-apoptotic inhibitors. The experimental process involved the reaction of N-(2-Hydroxy-2-(4-methoxyphenyl)ethyl)cinnamamide(cas: 456-12-2).Formula: C18H19NO3

The Article related to allium curcuma boerhaavia biol diversity, bioactive compound anti apoptotic protein india, Pharmacology: Other (All Agents and Effects Not Otherwise Assignable) and other aspects.Formula: C18H19NO3

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

On June 1, 2011, Quirico, Eric; Bourot-Denise, Michele; Robin, Christophe; Montagnac, Gilles; Beck, Pierre published an article.Safety of 3-Nitro-4-chlorobenzenesulfonamide The title of the article was A reappraisal of the metamorphic history of EH3 and EL3 enstatite chondrites. And the article contained the following:

The thermal history of a series of EH3 and EL3 chondrites has been investigated by studying the degree of structural order of the organic matter (OM) located and characterized in matrix areas by Raman micro-spectroscopy. By comparison with unequilibrated ordinary chondrites (UOCs) and CO and CV carbonaceous chondrites, the following petrol. types have been assigned to various E chondrites: Sahara 97096 and Allan Hills 84206: 3.1-3.4; Allan Hills 85170 and Parsa: 3.5; Allan Hills 85119: 3.7; Qingzhen, MacAlpine Hills 88136 and MacAlpine Hills 88184: 3.6-3.7. The petrol. type of Qingzhen is consistent with the abundance of the P3 noble gas component, a sensitive tracer of the grade of thermal metamorphism. The petrol. types are qual. consistent with the abundance of fine-grained matrix for the whole series. No significant effects of shock processes on the structure of OM were observed However such processes certainly compete with thermal metamorphism and the possibility of an effect cannot be fully discarded, in particular in the less metamorphosed objects. The OM precursors accreted by the EH3 and EL3 parent bodies appear to be fairly similar to those of UOCs and CO and CV carbonaceous chondrites. Raman data however show some slight structural differences that could be partly accounted for by shock processes. The metamorphic history of EH3 and EL3 chondrites has often been described as complex, in particular regarding the combined action of shock and thermal metamorphism. Because OM maturity is mostly controlled by the temperature of peak metamorphism, it is possible to distinguish between the contributions of long duration thermal processes and that of shock processes. Comparison of the petrol. types with the closure temperatures previously derived from opaque mineral assemblages has revealed that the thermal history of EH3 and EL3 chondrites is consistent with a simple asteroidal onion shell model. Thermal metamorphism in enstatite chondrites appears to be fairly similar to that which takes place in other chondrite classes. The complex features recorded by mineralogy and petrol. and widely reported in the literature appear to be mostly controlled by shock processes. The experimental process involved the reaction of 3-Nitro-4-chlorobenzenesulfonamide(cas: 97-09-6).Safety of 3-Nitro-4-chlorobenzenesulfonamide

The Article related to organic matter structural order metamorphic history enstatite chondrite meteorite, Mineralogical and Geological Chemistry: Cosmochemistry and Meteorites and other aspects.Safety of 3-Nitro-4-chlorobenzenesulfonamide

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