Tag: M.W=400-450

Hosoi, Kazuo published the artcileEffects of pH indicators on various activities of chromatophores of Rhodospirillum rubrum, Recommanded Product: 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, the publication is Journal of Biochemistry (1975), 78(6), 1331-46, database is CAplus and MEDLINE.

The effects of pH indicators on activities for ATP [56-65-5] formation in the light, ATP hydrolysis in the dark, and ATP-inorganic phosphate (Pi) exchange in the dark were examined with chromatophores from R. rubrum. Of 31 pH indicators tested, 11 (metanil yellow [587-98-4], 2,4-dinitrophenol [51-28-5], ethyl orange [13545-67-0], bromocresol green [76-60-8], resazurin [550-82-3], neutral red [553-24-2], bromthymol blue [76-59-5], α-naphtholphthalein [596-01-0], o-cresolphthalein [596-27-0], phenolphthalein [77-09-8], and alizarin yellow G [584-42-9]) almost completely inhibited the activities for ATP formation and ATP-Pi exchange at concentrations of 1mM. Of the 11 pH indicators, those other than α-naphtholphthalein, o-cresolphthalein and phenolphthalein, when assayed at appropriate concentrations, inhibited ATP-Pi exchange, but not ATP hydrolysis. In ATP-Pi exchange, these 8 pH indicators were competitive against Pi, and noncompetitive against ATP. The remaining 3 pH indicators were noncompetitive against either Pi or ATP, when assayed at concentrations of the dyes that inhibited both activities. No correlation was found between the amounts of the indicators bound with chromatophores and the extents of their inhibition of either ATP formation or ATP-Pi exchange. Ethyl orange (pKa = 4.1) and 2,4-dinitrophenol (pKa = 3.9) stimulated ATP hydrolysis to the greatest extent. The latter dye was hardly bound with chromatophores. The stimulatory effects of pH indicators on ATP hydrolysis were hardly affected by extraction of quinones from chromatophores. Most of the pH indicators stimulated both succinate-cytochrome c2 reductase [9028-10-8] and NADH-cytochrome c2 reductase [9027-14-9] activities in the dark. The mechanism of uncoupling of the electron transfer system and the phosphorylation system by pH indicators and the mechanism of the coupling are discussed.

Journal of Biochemistry published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Recommanded Product: 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Mizutani, Miho Y. published the artcilePrediction of ligand binding affinity using a multiple-conformations-multiple-protonation scheme: application to estrogen receptor α, Formula: C28H18O4, the publication is Chemical & Pharmaceutical Bulletin (2012), 60(2), 183-194, database is CAplus and MEDLINE.

A fast method that can predict the binding affinities of chems. to a target protein with a high degree of accuracy will be very useful in drug design and regulatory science. We have been developing a scoring function for affinity prediction, which can be applied to extensive protein systems, and also trying to generate a prediction scheme that specializes in each target protein, with as high a predictive power as possible. In this study, we have constructed a prediction scheme with target-specific scores for estimating ligand-binding affinities to human estrogen receptor α (ERα), considering the major conformational change between agonist- and antagonist-bound forms and the change in protonation states of histidine at the ligand-binding site. The generated scheme calibrated with fewer training compounds (23 for the agonist-bound form, 17 for the antagonist-bound form) demonstrated good predictive power (a predictive r² of 0.83 for 154 validation compounds); this was also true for compounds with frameworks that were quite different from those of the training compounds Our prediction scheme will be useful in drug development targeting ERα and in primary screening of endocrine disruptors, and provides a successful method of affinity prediction considering the major conformational changes in a protein.

Chemical & Pharmaceutical Bulletin published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Formula: C28H18O4.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Liu, Huitao published the artcileQuantitative structure-property relationship study on the determination of binding constant by fluorescence quenching, Application In Synthesis of 596-01-0, the publication is Central European Journal of Chemistry (2009), 7(1), 59-65, database is CAplus.

Models to predict binding constant (logK) to bovine serum albumin (BSA) should be very useful in the pharmaceutical industry to help speed up the design of new compounds, especially as far as pharmacokinetics is concerned. We present here an extensive list of logK binding constants for thirty-five compounds to BSA determined by florescence quenching from the literature. These data have allowed us the derivation of a quant. structure-property relationship (QSPR) model to predict binding constants to BSA of compounds on the basis of their structure. A stepwise multiple linear regression (MLR) was performed to build the model. The statistical parameter provided by the MLR model (R = 0.9200, RMS = 0.3305) indicated satisfactory stability and predictive ability for the model. Using florescence quenching spectroscopy, we also exptl. determined the binding constants to BSA for two bioactive components in traditional Chinese medicines. Using the proposed model it was possible to predict the binding constants for each, which were in good agreement with the exptl. results. This QSPR approach can contribute to a better understanding of structural factors of the compounds responsible for drug-protein interactions, and be useful in predicting the binding constants of other compounds

Central European Journal of Chemistry published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Application In Synthesis of 596-01-0.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Wang, Ya-Ping published the artcileStudy on the interaction of 3,3-bis(4-hydroxy-1-naphthyl)-phthalide with bovine serum albumin by fluorescence spectroscopy, Synthetic Route of 596-01-0, the publication is Journal of Photochemistry and Photobiology, A: Chemistry (2006), 177(1), 6-11, database is CAplus.

The interaction between 3,3-bis(4-hydroxy-1-naphthyl)-phthalide (NPP) and bovine serum albumin (BSA) have been studied by fluorescence spectroscopy. The binding of NPP quenches the BSA fluorescence. By the fluorescence quenching results, it was found that the binding constant K = 5.30 × 10⁴ L mol^-1, and number of binding sites n = 0.9267. In addition, according to the synchronous fluorescence spectra of BSA, the results showed that the fluorescence spectra of BSA mainly originate from the tryptophan residues. Finally, the distance between the acceptor NPP and BSA was estimated to be 1.94 nm using Foester’s equation on the basis of fluorescence energy transfer. The interaction between NPP and BSA has been verified as consistent with the static quenching procedure and the quenching mechanism is related to the energy transfer.

Journal of Photochemistry and Photobiology, A: Chemistry published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C8H14O2, Synthetic Route of 596-01-0.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Uzumasa, Yasumitsu published the artcileSpectrochemical studies of mixed indicators. II. Absorption spectra of some new mixed indicators in their color-change intervals, Product Details of C28H18O4, the publication is Nippon Kagaku Kaishi (1921-47) (1938), 24-8, database is CAplus.

cf. C. A. 31, 8375.5. The color change of the 5 mixtures, (1) m-cresol purple + xylenol blue, (2) m-cresol purple + thymol blue, (3) xylenol blue + cresolphthalein, (4) α-naphtholphthalein + m-cresol blue, (5) α-naphtholphthalein + cresol red, has been determined in different p_H ranges spectroscopically. It has been shown that the absorption curves of the mixtures can be constructed from those of the components.

Nippon Kagaku Kaishi (1921-47) published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C7H7BClFO3, Product Details of C28H18O4.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Ben-David, O. published the artcileSimple Absorption Optical Fiber pH Sensor Based on Doped Sol-Gel Cladding Material, Category: benzofurans, the publication is Chemistry of Materials (1997), 9(11), 2255-2257, database is CAplus.

The construction and the operation properties of an organically doped sol-gel cladded optical fiber pH sensor, is described. The SiO₂-entrapped indicator in the absorption-based device was α-naphtholphthalein, pumped with a continuous wave He-Ne 633 nm laser. The transmitted signal through the sensing fiber yields a response in the range pH = 4-11, where signal level doubled itself from base to acid. The dynamic range is high with a 100% change between these pH values, allowing pH determination in ∼0.2 pH units accuracy, better than the current status of analogous fluorescent based sensors. The high dynamic range apparently cannot be fully explained by simple evanescent field considerations. The design and setup are attractive because of the simplicity and very low cost. The probe is easily prepared under regular room conditions by simple decladding of the fiber and sol-gel recoating; the optical fiber probe is easily replaceable; the optical setup is trivial and involves inexpensive common parts, in particular the light source which can be a simple red diode laser.

Chemistry of Materials published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Category: benzofurans.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Zaggout, Farid R. published the artcileBehavior of α-Naphtholphthalein as Analytical pH-Indicator Entrapped into Sol Gel Matrix, Computed Properties of 596-01-0, the publication is Journal of Dispersion Science and Technology (2008), 29(1), 58-62, database is CAplus.

This study considers the nature of interactions between the sol gel derived inorganic matrix and α-naphtholphthalein pH-indicator, the method is based on the phys. entrapment of the indicator mols. in sol gel matrix, the immobilized α-naphtholphthalein pH-indicator shows similar behavior as its solution counterpart. The UV/VIS spectra indicate that the α-naphtholphthalein retains its structure during the sol gel reactions in terms of response to pH. α-Naphtholphthalein can be regarded as uniformly distributed in the sol gel matrix. This observation has been confirmed using polarized microscopy.

Journal of Dispersion Science and Technology published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C7H3Cl2NO, Computed Properties of 596-01-0.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Kachur, Alexander V. published the artcileSynthesis of ¹⁸F-labeled phenolphthalein and naphtholphthalein, Category: benzofurans, the publication is Journal of Fluorine Chemistry (2013), 1-6, database is CAplus and MEDLINE.

The fluorination of phenolphthalein and naphtholphthalein was performed with diluted fluorine gas under acidic conditions. For both compounds the authors observed an electrophilic fluorination into ortho position to the hydroxyl group. Through the use of this reaction the authors synthesized and characterized mono- and difluorinated derivatives of phenolphthalein and naphtholphthalein. The compounds were also prepared in the ¹⁸F labeled form, which are usable as a new type of probe for in vivo pH measurement in biol. objects using Cerenkov imaging or combination of light absorption and PET.

Journal of Fluorine Chemistry published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Category: benzofurans.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

de Castro, S. L. published the artcileScreening of natural and synthetic drugs against Trypanosoma cruzi. 1. Establishing a structure/activity relationship, Safety of 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, the publication is Microbios (1994), 78(315), 83-90, database is CAplus and MEDLINE.

The activity of 45 compounds against bloodstream forms of Trypanosoma cruzi was investigated. The aim was to consider new agents which might subsequently be assayed for chemoprophylaxis in donated blood. In a preliminary screening the drugs were assayed (50 to 1,000 μM at 29°C) and those active against bloodstream forms at concentrations below 600 μM were selected for further assays under blood-bank conditions (4°C/24 h). Three compounds isolated from natural sources and six synthetic agents were selected. The active compounds of plant origin included purpurin (I), a member of the trihydroxylated anthraquinone group, which is known to exhibit trypanocidal activity. Among the active synthetic compounds, five displayed a common structural feature in that they were potentially one-electron acceptors, via reductive functional groups. All five compounds form tricentered C or N intermediates, joined in a hypothetical Y radical pattern. It is possible that the trypanocidal mechanisms initiated by these compounds are similar to those found with crystal violet (II) , since this dye, which is already used in endemic areas for the treatment of banked blood, also conforms to this general Y structural pattern.

Microbios published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Safety of 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem

Roncaglioni, A. published the artcileBinary classification models for endocrine disrupter effects mediated through the estrogen receptor, Application of 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, the publication is SAR and QSAR in Environmental Research (2008), 19(7-8), 697-733, database is CAplus and MEDLINE.

Endocrine disrupters (EDs) form an interesting field of application attracting great attention in the recent years. They represent a number of exogenous substances interfering with the function of the endocrine system, including the interfering with developmental processes. In particular EDs are mentioned as substances requiring a more detailed control and specific authorization within REACH, the new European legislation on chems., together with other groups of chems. of particular concern. QSAR represents a challenging method to approach data gap which is foreseen by REACH. The aim of this study was to provide an insight into the use of QSAR models to address ED effects mediated through the estrogen receptor (ER). New predictive models were derived to assess estrogenicity for a very large and heterogeneous dataset of chem. compounds QSAR binary classifiers were developed based on different data mining techniques such as classification trees, decision forest, fuzzy logic, neural networks and support vector machines. The focus was given to multiple endpoints to better characterize the effects of EDs evaluating both binding (RBA) and transcriptional activity (RA). A possible combination of the models was also explored. A very good accuracy was reached for both RA and RBA models (higher than 80%).

SAR and QSAR in Environmental Research published new progress about 596-01-0. 596-01-0 belongs to benzofurans, auxiliary class Benzofuran,Naphthalene,Alcohol,Ester, name is 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, and the molecular formula is C28H18O4, Application of 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one.

Referemce:
https://en.wikipedia.org/wiki/Benzofuran,
Benzofuran | C8H6O – PubChem