Category: 518-67-2

Chryssou, K. published the artcileAnalysis of three detergent products and identification of surface active agents by infrared absorption spectra and a reflectance graph, SDS of cas: 518-67-2, the publication is Research & Reviews: Journal of Chemistry (2020), 9(2), 1-10, database is CAplus.

Three types of commonly used detergents (i.e. detergent for all surfaces Ajax F[Formula Omitted]te des Fleurs by Colgate Palmolive, dishwashing detergent maki by AlindaVelco, limescale remover spray Nuevo Kirikoantical made by Casa Kiriko S.L. Spain) have been analyzed with the mixed indicator titration method which makes use of the mixed indicator dimidium bromide/disulphine blue. Also the use of IR spectroscopy for qual. identification of the anionic and non-ionic surfactants present in them is reported. Diffuse reflectance spectra (DRS) anal. is applied for the third detergent product. From the diffuse reflectance spectra the band gap energy (Eg) of the material has been estimated This method has been investigated with a single integrating sphere system over the visible wavelength range.

Research & Reviews: Journal of Chemistry published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, SDS of cas: 518-67-2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Kay, A. W. published the artcileThe action of atropine and hexamethonium in combination on gastric secretion and motility, Related Products of bromides-buliding-blocks, the publication is British Journal of Pharmacology and Chemotherapy (1956), 231-5, database is CAplus and MEDLINE.

Hexamethonium or atropine administered singly had less effect on human gastric secretion and motility than their combination in half the single dose. Such combinations produced fewer side effects than either drug alone.

British Journal of Pharmacology and Chemotherapy published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Martins Alho, Miriam A. published the artcileAntiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones, Quality Control of 518-67-2, the publication is Bioorganic & Medicinal Chemistry (2014), 22(5), 1568-1585, database is CAplus and MEDLINE.

Protozoan parasites have been one of the most significant public health problems for centuries and several human infections caused by them have massive global impact. Most of the current drugs used to treat these illnesses have been used for decades and have many limitations such as the emergence of drug resistance, severe side-effects, low-to-medium drug efficacy, administration routes, cost, etc. These drugs have been largely neglected as models for drug development because they are majorly used in countries with limited resources and as a consequence with scarce marketing possibilities. Nowadays, there is a pressing need to identify and develop new drug-based antiprotozoan therapies. In an effort to overcome this problem, the main purpose of this study is to develop a QSARs-based ensemble classifier for antiprotozoan drug-like entities from a heterogeneous compounds collection. Here, the authors use some of the TOMOCOMD-CARDD mol. descriptors and linear discriminant anal. (LDA) to derive individual linear classification functions to discriminate between antiprotozoan and non-antiprotozoan compounds as a way to enable the computational screening of virtual combinatorial datasets and/or drugs already approved. Firstly, the authors construct a wide-spectrum benchmark database comprising of 680 organic chems. with great structural variability (254 of them antiprotozoan agents and 426 to drugs having other clin. uses). This series of compounds was processed by a k-means cluster anal. to design training and predicting sets. In total, seven discriminant functions were obtained, by using the whole set of atom-based linear indexes. All the LDA-based QSAR models show accuracies above 85% in the training set and values of Matthews correlation coefficients (C) vary from 0.70 to 0.86. The external validation set shows rather-good global classifications of around 80% (92.05% for best equation). Later, the authors developed a multi-agent QSAR classification system, in which the individual QSAR outputs are the inputs of the aforementioned fusion approach. Finally, the fusion model was used for the identification of a novel generation of lead-like antiprotozoan compounds by using ligand-based virtual screening of ‘available’ small mols. (with synthetic feasibility) in the authors’ ‘inhouse’ library. A new mol. subsystem (quinoxalinones) was then theor. selected as a promising lead series, and its derivatives subsequently synthesized, structurally characterized, and exptl. assayed by using in vitro screening that took into consideration a battery of five parasite-based assays. The chems. 7-Nitro-4-(5-piperidinopentyl)-3,4-dihydro-1H-quinoxalin-2-one hydrobromide (11), 4-(5-Azepanylpentyl)-7-nitro-3,4-dihydro-1H-quinoxalin-2-one hydrobromide (12) and 1-Methyl-7-nitro-4-(5-piperidinopentyl)-3,4-dihydro-1H-quinoxalin-2-one hydrobromide (16) are the most active (hits) against apicomplexa (sporozoa) and mastigophora (flagellata) subphylum parasites, resp. Both compounds depicted good activity in every protozoan in vitro panel and they did not show unspecific cytotoxicity on the host cells. The described tech. framework seems to be a promising QSAR-classifier tool for the mol. discovery and development of novel classes of broad-antiprotozoan-spectrum drugs, which may meet the dual challenges posed by drug-resistant parasites and the rapid progression of protozoan illnesses.

Bioorganic & Medicinal Chemistry published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, Quality Control of 518-67-2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Makovetskaya, L. I. published the artcileIon-selective electrodes with anionic tenside function for detergent analysis, Quality Control of 518-67-2, the publication is Seifen, Oele, Fette, Wachse (1991), 117(15), 565-71, database is CAplus.

The electrochem. characteristics of dodecyl sulfate-, and dodecylbenzene sulfonate-selective electrodes with polymer membranes on the base of ion associations of anionic tensides and cetylpyridinium, tetrahexadecylphosphonium (I), giamin 1622, etonium, and dyes like methylene blue (II) and dimidium bromide (III) were studied. Calibration curves are presented. The most stable electrodes (1400-1500 measurements) were these of associations of anionic tensides with I and dyes (II and III) obeying the Nernst relation in a broad range of tenside concentration and pH (1-12). Results from potentiometric titrations of Na alkylbenzene sulfonates and Na alkyl sulfates with all investigated electrodes met the results from conventional 2-phase titrations

Seifen, Oele, Fette, Wachse published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, Quality Control of 518-67-2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Nganga, Joseph B. published the artcileDibromorhodamine-based photoredox catalysis under visible light for the colorimetric detection of Hg(II) ion, COA of Formula: C20H18BrN3, the publication is Bulletin of the Korean Chemical Society (2022), 43(7), 946-950, database is CAplus.

We demonstrated a colorimetric readout of Hg(II) ion through visible-light-induced polymerization, initiated by an Hg(II)-responsive photoredox initiator/catalyst under aerobic conditions. Thiosemicarbazide-functionalized 4â€?5â€?dibromorhodamine was synthesized as a stimuli-responsive photoredox catalyst. The rhodamine derivatives bearing thiosemicarbazide have been known as fluorogenic probes of Hg(II) ion with excellent sensitivity and selectivity. In this work, we incorporated a heavy halogen atom (i.e., Br) onto the xanthene core ring of the rhodamine derivative to improve the photoredox catalytic performance of rhodamine 6G, which exhibits a low catalytic performance, presumably due to the poor quantum yield of intersystem crossing. Thus, this photoredox catalyst led to the formation of a hydrogel with Hg(II) ion in a concentration of 10 μM, as the catalyst initiated free-radical polymerization of poly(ethylene glycol) diacrylate and N-vinylpyrrolidone with triethanolamine under visible light for 1 min.

Bulletin of the Korean Chemical Society published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, COA of Formula: C20H18BrN3.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Marrero-Ponce, Yovani published the artcileLigand-Based Virtual Screening and in Silico Design of New Antimalarial Compounds Using Nonstochastic and Stochastic Total and Atom-Type Quadratic Maps, Recommanded Product: Dimidium bromide, the publication is Journal of Chemical Information and Modeling (2005), 45(4), 1082-1100, database is CAplus and MEDLINE.

Malaria has been one of the most significant public health problems for centuries. It affects many tropical and subtropical regions of the world. The increasing resistance of Plasmodium spp. to existing therapies has heightened alarms about malaria in the international health community. Nowadays, there is a pressing need for identifying and developing new drug-based antimalarial therapies. In an effort to overcome this problem, the main purpose of this study is to develop simple linear discriminant-based quant. structure-activity relation (QSAR) models for the classification and prediction of antimalarial activity using some of the TOMOCOMD-CARDD (TOpol. Mol. COMputer Design-Computer Aided “Rational” Drug Design) fingerprints, to enable computational screening from virtual combinatorial datasets. In this sense, a database of 1562 organic chems. having great structural variability, 597 of them antimalarial agents and 965 compounds having other clin. uses, was analyzed and presented as a helpful tool, not only for theor. chemists but also for other researchers in this area. This series of compounds was processed by a k-means cluster anal. to design training and predicting sets. Afterward, two linear classification functions were derived to discriminate between antimalarial and nonantimalarial compounds The models (including nonstochastic and stochastic indexes) correctly classify more than 93% of the compound set, in both training and external prediction datasets. They showed high Matthews’ correlation coefficients, 0.889 and 0.866 for the training set and 0.855 and 0.857 for the test one. The models’ predictivity was also assessed and validated by the random removal of 10% of the compounds to form a new test set, for which predictions were made using the models. The overall means of the correct classification for this process (leave group 10% full-out cross validation) using the equations with nonstochastic and stochastic atom-based quadratic fingerprints were 93.93% and 92.77%, resp. The quadratic maps-based TOMOCOMD-CARDD approach implemented in this work was successfully compared with four of the most useful models for antimalarials selection reported to date. The developed models were then used in a simulation of a virtual search for Ras FTase (FTase = farnesyltransferase) inhibitors with antimalarial activity; 70% and 100% of the 10 inhibitors used in this virtual search were correctly classified, showing the ability of the models to identify new lead antimalarials. Finally, these two QSAR models were used in the identification of previously unknown antimalarials. In this sense, three synthetic intermediaries of quinolinic compounds were evaluated as active/inactive ones using the developed models. The synthesis and biol. evaluation of these chems. against two malaria strains, using chloroquine as a reference, was performed. An accuracy of 100% with the theor. predictions was observed Compound 3 showed antimalarial activity, being the first report of an arylaminomethylenemalonate having such behavior. This result opens a door to a virtual study considering a higher variability of the structural core already evaluated, as well as of other chems. not included in this study. We conclude that the approach described here seems to be a promising QSAR tool for the mol. discovery of novel classes of antimalarial drugs, which may meet the dual challenges posed by drug-resistant parasites and the rapid progression of malaria illnesses.

Journal of Chemical Information and Modeling published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, Recommanded Product: Dimidium bromide.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Liu, Juncheng published the artcileInvestigation on the solubilization of organic dyes and micro-polarity in AOT water-in-CO₂ microemulsions with fluorinated co-surfactant by using UV-Vis spectroscopy, SDS of cas: 518-67-2, the publication is Journal of Supercritical Fluids (2004), 32(1-3), 97-103, database is CAplus.

It was found that the dyes thymol blue, dimidium bromide, and methyl orange, which are not soluble in pure supercritical CO₂, could be conveniently solubilized in AOT water-in-CO₂ reverse microemulsions with 2,2,3,3,4,4,5,5-octafluoro-1-pentanol as co-surfactant. The solubilities of the dyes in the microemulsions were measured successfully by using a UV-visible spectroscopy method newly established in our laboratory; besides that, for a given temperature, a critical micelle pressure at which formation of AOT water-in-CO₂ reverse micelles starts, was determined in term of the effect of pressure on the absorption intensity of the dyes in the microemulsions. Furthermore, the micro-polarity environment of the AOT water-in-CO₂ reverse microemulsions was investigated systematically according to the shift of the solvatochromic probes methyl orange and dimidium bromide with varying water content by using UV-visible spectroscopy.

Journal of Supercritical Fluids published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, SDS of cas: 518-67-2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Cory, Michael published the artcileInhibitors of histone methylation, SDS of cas: 518-67-2, the publication is Chemico-Biological Interactions (1974), 9(4), 253-9, database is CAplus and MEDLINE.

Two classes of inhibitors of histone methyltransferase I from calf thymus were studied. High concentrations (≥10mM) of various alkyl or aralkyl amines and polyamines were inhibitory to the enzyme. Spermine and spermidine were among the most potent compounds in this group. The best monoamine inhibitor was 2-phenylethylamine, which gave 47% inhibition at 10mM. The substituted phenanthridinium compound ethidium bromide was also an inhibitor of the enzyme. A number of analogs of ethidium bromide were tested, and the most potent compound gave 50% inhibition at 0.125mM. S-adenosyl-L-methionine showed competitive inhibition of the enzyme as determined from a Lineweaver-Burk plot, whereas ethidium bromide was noncompetitive.

Chemico-Biological Interactions published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, SDS of cas: 518-67-2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Wang, Bing Hui published the artcileInhibition of eukaryote protein kinases by isoquinoline and oxazine alkaloids, SDS of cas: 518-67-2, the publication is Planta Medica (1997), 63(6), 494-498, database is CAplus and MEDLINE.

The aporphine isoquinoline alkaloid apomorphine is a potent inhibitor of the catalytic subunit (cAK) of rat liver cAMP-dependent protein kinase (PKA), myosin light chain kinase (MLCK), and Ca²⁺– and phospholipid-dependent protein kinase C (PKC) (IC₅₀ values 1, 11, and 8 μM, resp.). However, a number of O-methylated analogs of apomorphine are inactive or poor inhibitors of cAK. The benzophenanthridine isoquinoline alkaloid sanguinarine is a potent inhibitor of cAK but is a relatively poor inhibitor of PKC (IC₅₀ values 6 and 217 μM, resp.). However a number of methylated analogs of sanguinarine are inactive as cAK inhibitors. The aporphine isoquinoline alkaloids (+)-boldine and bulbocapnine are noncompetitive inhibitors of MLCK with respect to both peptide substrate and ATP. The inhibition of cAK, MLCK, and PKC by apomorphine and sanguinarine is competitive with respect to ATP as substrate. The oxazine alkaloids darrow red, nile blue A, and oxazine 170 are variously effective as inhibitors of cAK, MLCK, PKC, and CDPK (IC₅₀ values 4-65 μM). Ca²⁺ binds to apomorphine and (+)-boldine which, together with nile blue A and oxazine 170, are potent inhibitors of calmodulin (CaM)-dependent MLCK (IC₅₀ values 11, 12, 4, and 7 μM, resp.), and interact with dansyl-CaM.

Planta Medica published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C3H5BN2O2, SDS of cas: 518-67-2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Li, Zonglong published the artcileThree-Dimensional Ionic Covalent Organic Frameworks for Rapid, Reversible, and Selective Ion Exchange, Related Products of bromides-buliding-blocks, the publication is Journal of the American Chemical Society (2017), 139(49), 17771-17774, database is CAplus and MEDLINE.

Covalent organic frameworks (COFs) have emerged as functional materials for various potential applications. However, the availability of three-dimensional (3D) COFs is still limited, and nearly all of them exhibit neutral porous skeletons. Here we report a general strategy to design porous pos. charged 3D ionic COFs by incorporation of cationic monomers in the framework. The obtained 3D COFs are built of 3-fold interpenetrated diamond net and show impressive surface area and CO₂ uptakes. The ion-exchange ability of 3D ionic COFs has been highlighted by reversible removal of nuclear waste model ions and excellent size-selective capture for anionic pollutants. This research thereby provides a new perspective to explore 3D COFs as a versatile type of ion-exchange materials.

Journal of the American Chemical Society published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary