Category: 518-67-2

Ponce, Yovani Marrero published the artcileAtom-based 2D quadratic indices in drug discovery of novel tyrosinase inhibitors: results of In Silico studies supported by experimental results, Quality Control of 518-67-2, the publication is QSAR & Combinatorial Science (2007), 26(4), 469-487, database is CAplus.

Herein we present results of QSAR studies of tyrosinase inhibitors employing one of the atom-based TOMOCOMD-CARDD (acronym of TOpol. Mol. COMputer Design-Computer Aided “Rational” Drug Design) descriptors, mol. quadratic indexes, and Linear Discriminant Anal. (LDA) as pattern recognition method. In this way, a database of 246 organic chems., reported as tyrosinase inhibitors having great structural variability, was analyzed and presented as a helpful tool, not only for theor. chemists but also for other researchers in this area. In total, 12 LDA-based QSAR models were obtained, the first six with the non-stochastic total and local quadratic indexes and the six remaining models with the stochastic mol. descriptors. The best two models for the non-stochastic and stochastic mol. descriptors, showed an appropriate overall accuracy (92.68 and 89.10%, resp.) and a high Matthews correlation coefficient (C of 0.85 and of 0.84, correspondingly) when applied to the training set. External validation series were also used to validate the obtained models; the 91.67% (C = 0.82) and 90.00% (C = 0.78), were correctly classified, resp. To show the possibilities of the present approach for the ligand-based virtual screening of tyrosinase inhibitors, the developed models were used afterwards in a simulation of a virtual search for tyrosinase inhibitors. For instance, more than 93% (93.33%) and 96% (96.66%) of the screened chems. were correctly classified by the two best LDA-based QSAR models developed with non-stochastic and stochastic quadratic indexes, resp. Finally, the combination of the obtained models permitted the selection/identification of new diterpenoidal alkaloid leads as tyrosinase inhibitors. The found activity is supported by observed inhibitory effects on mushroom tyrosinase enzyme, even comparable with some reference tyrosinase inhibitors. These results support a role for TOMOCOMD-CARDD descriptors in the biosilico discovery of novel tyrosinase inhibitors from large databases of chem. structures (virtual or “in silico”), which may be used to prevent or treat pigmentation disorders.

QSAR & Combinatorial Science 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

Foster, G. E. published the artcileAssay of 2,7-diamino-9-phenyl-10-methylphenanthridinium bromide, Quality Control of 518-67-2, the publication is Analyst (1946), 287-8, database is CAplus.

The organic compound mentioned in the title of this paper, which is more commonly known as dimidium bromide or as phenanthridium 1553 [3,8-diamino-5-methyl-6-phenylphenanthridinium bromide (C.A. numbering)], has been tested for its trypanocidal activity in the treatment of T. congolense and T. brucei infections in mice and cattle. The Br content can be easily determined by treating about 0.25 g. of sample with a little dilute HNO₃ and titrating electrometrically, with AgNO₃. To determine the C₂₀H₁₈N₃⁺, dissolve 1 g. in 200 ml. of warm water and to the solution add 5 g. of NaOAc and 200 ml. of 0.1 M K₄Fe(CN)₆ with vigorous shaking. After 5 min. filter and wash the precipitate with two 25-ml. portions of water. To the filtrate add 5 ml. of concentrated HCl + 5 g. of NaCl + 2 g. KI + 3 g. ZnSO₄.7-H₂O. Wait for each salt to dissolve before adding the next one. After 5 min. titrate with 0.1 N Na₂S₂O₃. After allowing for a blank, each ml. of 0.1 N K₄Fe(CN)₆ = 0.1141 g. of C₂₀H₁₈N₃Br.

Analyst 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

Wroblewska, Elwira Katarzyna published the artcile5-(3-Bromo-4-hydroxy-5-methoxyphenyl)-7,7-dimethyl-7H-indolo[1,2-a]quinolinium perchlorate as a new indicator for anionic surface active agents determination. Part II. Influence of pH on the titration results, Application of Dimidium bromide, the publication is Tenside, Surfactants, Detergents (2011), 48(2), 127-129, database is CAplus.

The work refers to the already published modification of widely used method for anionic active agents determination which concerns the replacement of the mixed indicator, consisting of Acid Blue 1 and carcinogenic Dimidium Bromide, applied in the International Standard ISO 2271:1989 with solvatochromic dye, i.e. 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-7,7-dimethyl-7H-indolo[1,2-a]quinolinium perchlorate (1). The value of pK_a for examined dye (1) amounts to 6.59, and the effect of pH of the probes on the anal. results was studied, i.e. precision of determination of titration endpoint. The change of pH for aqueous and apparent pH for organic phase were determined during the titration process. It was shown that there was no effect of the pH change in the range from 3.5 to 5.0 on the results. The modification of the method for the probes which pH do not fit to the above range is presented.

Tenside, Surfactants, Detergents 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 C9H21NO3, Application of Dimidium bromide.

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

Wroblewska, E. K. published the artcile5-(3-bromo-4-hydroxy-5-methoxyphenyl)-7,7-dimethyl-7H-indolo[1,2-a] quinolinium perchlorate as a new indicator for anionic surface active agents determination, Synthetic Route of 518-67-2, the publication is Tenside, Surfactants, Detergents (2010), 47(2), 119-122, database is CAplus.

5-(3-Bromo-4-hydroxy-5-methoxyphenyl)-7,7-dimethyl-7H-indolo[1,2-a]quinolinium perchlorate (la) was used as an indicator for anionic surface active agents determination in the manual direct two-phase titration according to the International Standard [ISO 2271: 1989] Surface active agents. The solvatochromic dye (la) can successfully replace the recommended mixed indicator consisting of a mixture of Acid Blue I and carcinogenic dimidium bromide. The detection of the titration endpoint with use of this dye turned out much easier than with the use of the mixed indicator. The procedure was also modified replacing carcinogenic and mutagenic chloroform with less toxic dichloromethane. The concentrations of the anionic surface – active substances in few com. available products were determined using modified two-phase titration method.

Tenside, Surfactants, Detergents 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 C22H12F6O6S2, Synthetic Route of 518-67-2.

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

Belyaeva, T. N. published the artcileSanguinarine cytotoxicity for transformed mouse fibroblast L-cells in culture, sensitive and resistant to ethidium bromide, as compared to that of some other DNA-complexing agents, Safety of Dimidium bromide, the publication is Tsitologiya (1989), 31(11), 1363-8, database is CAplus.

A natural DNA intercalator, the benzo[c]phenanthridine alkaloid sanguinarine, is more toxic to mouse transformed fibroblast L-cells in culture than the synthetic DNA intercalator ethidium bromide (EtB) and the alkaloid berberine. Dimidium bromide is also an inhibitor of L-cell growth. In assay conditions, growth of L-cells is stopped by 1.5 x 10^-5M sanguinarine. Lebr-625 cells, resistant to 25 μg EtB/mL, have sanguinarine sensitivity close to that of L-cells, but Lebr-625 cells are resistant to dimidium bromide. Sanguinarine is more toxic to L-cells in culture than the anticancer drug cis-Pt(NH₃)₂Cl₂. trans-Pt(NH₃)₂Cl₂ is less toxic to these cells. The strong toxicity of sanguinarine for L- and Lebr-625 cells in culture, as compared to other DNA-complexing drugs, seems to be associated with the wide range of potential cell targets for sanguinarine. Besides the inhibition of nucleic acid metabolism reactions, characteristic of DNA intercalators, and disruption of mitochondrial ATP synthesis, also characteristic of organic heterocyclic cationic DNA intercalators, sanguinarine can modify the SH groups of enzymes including SH-sensitive membrane-bound Na⁺, K⁺-ATPase of cerebral cortex and Ca²⁺-ATPase of skeletal muscle sarcoplasmic reticulum.

Tsitologiya 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, Safety of Dimidium bromide.

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

Zerbe, Jerzy published the artcileA fast manual method for determination of anionic surfactants in water samples, Product Details of C20H18BrN3, the publication is Chemia Analityczna (Warsaw) (2000), 45(4), 595-599, database is CAplus.

Results of investigation on the determination of anionic surfactants (AS) in water samples by means of color reaction based on the reaction of AS with mixed indicator dimidium bromide-disulfine blue and spectrophotometric measurements of the absorbance at 525 nm are presented. In properly selected anal. conditions limits of AS detection in the procedure is 0.07 mg l^-1. This enables the use of the method in monitoring or quality control of the natural and drinking water.

Chemia Analityczna (Warsaw) 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 C13H15NO6S, Product Details of C20H18BrN3.

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

Li, Yang published the artcileInfluence of polymer on oil displacement efficiency of petroleum sulfonates system, Safety of Dimidium bromide, the publication is Xinan Shiyou Daxue Xuebao, Ziran Kexueban (2009), 31(5), 135-138, database is CAplus.

The effect of polymer, such as partially hydrolyzed polyacrylamide, on the dynamic and equilibrium interfacial tension of petroleum sulfonates and oil/water systems is examined It is testified that polymer added in a certain concentration scope in the system only prolongs the time which the system needs to reach at the equilibrium interfacial tension, but the ability of the system for washing oil is not influenced. The simulation test by changing the injection sequence or injection mode of polymer and petroleum sulfonate indicates that the maximum oil displacement efficiency is acquired by the injection mode in which the petroleum sulfonate solution is injected after polymer flooding. The main reason is the decrease of adsorption site on the surface of rock for the adsorption of partially hydrolyzed polyacrylamide by hydrogen bond and the reduction of association body formed by polar group, so the loss of petroleum sulfonate in the core is decreased, as a result, the oil displacement efficiency of petroleum sulfonate for enhanced oil recovery is relatively increased.

Xinan Shiyou Daxue Xuebao, Ziran Kexueban 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, Safety of Dimidium bromide.

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

Li, Yang published the artcileEffect of Alkanolamide on Interfacial Tension and Loss of Petroleum Sulfonates for Enhanced Oil Recovery, Recommanded Product: Dimidium bromide, the publication is Journal of Dispersion Science and Technology (2010), 31(6), 722-726, database is CAplus.

Exptl. studies are conducted in order to elucidate the mechanisms of monoethanolamide responsible for synergism on lowering interfacial tension and decreasing loss due to adsorption on surface of reservoir sand and precipitation with multivalent cations in model oil/water/surfactants/brine systems. The interfacial tensions between solutions containing crude oil and monoethanolamide, petroleum sulfonates, or mixture of monoethanolamide and petroleum sulfonates at different ratios are studied without any alkali added in the solution The results show significant synergic effect between monoethanolamide and petroleum sulfonates can reduce the interfacial tension to ultralow. Adsorption isotherms of monoethanolamide, petroleum sulfonates and mixture solution are determined to assess the effect of monoethanolamide on reducing the loss of petroleum sulfonates in formation. Static adsorption experiments indicate that the loss of petroleum sulfonates for adsorption and precipitation can be reduced on a great degree when monoethanolamide is mixed with petroleum sulfonates. The core-flooding tests show that the enhanced oil recovery with the formulation of surfactants of 0.3 wt% petroleum sulfonates and 0.2 wt% monoethanolamide can be increased by 26.6% without any alkali added in the flooding solution

Journal of Dispersion Science and Technology 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

Orthgiess, Erhard published the artcileColorimetric determination of anionic surfactants, Application of Dimidium bromide, the publication is Tenside, Surfactants, Detergents (1990), 27(4), 226-8, database is CAplus.

A method for the determination of anionic surfactants such as alkyl- and alkylarylsulfates, -sulfonates, and -sulfosuccinates in aqueous solutions is based on the absorbance measurement of surfactant-dye (i.e., 3,8-diamino-5-methyl-6-phenylphenanthridinium bromide) complexes at 525 nm. The technique is simpler and faster than other colorimetric methods and can be used for the anal. of 1 × 10^-4 to 5 × 10^-7 M solutions

Tenside, Surfactants, Detergents 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, Application of Dimidium bromide.

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