Month: November 2022

Royer, Mariana published the artcileEfficacy of Bagassa guianensis Aubl. extract against wood decay and human pathogenic fungi, Product Details of C14H10O4, the publication is International Biodeterioration & Biodegradation (2012), 55-59, database is CAplus.

Extractives that provide natural resistance to Bagassa guianensis Aubl. heartwood were examined Soil-bed tests showed that the B. guianensis heartwood resistance was significantly reduced after Et acetate extraction, whereas methanol and especially water extractions improved the resistance. The Et acetate extract was submitted to a bioguided fractionation, and fractions were tested against one wood-destroying fungal strain (Pycnoporus sanguineus) and two human pathogenic fungal strains (Candida glabrata (yeast) and Trichophyton rubrum (filamentous dermatophyte)). Fraction F7, which exhibited the strongest antifungal activity, was subsequently fractionated by high performance liquid chromatog. (HPLC). Six previously described compounds were isolated. Although the two moracins, 6-O-methyl-moracin N (3) and moracin N (4) were the most active against fungal strains with MIC values between 4 and 16 μg ml^-1, the isolated compounds showed less or equivalent antifungal activity than the initial fraction. Possible synergism between compounds 3 and 4 and other secondary metabolites have been hypothesized. Our study demonstrated that this extract as a whole might be used as a wood preservation or antimycotic product.

International Biodeterioration & Biodegradation published new progress about 56317-21-6. 56317-21-6 belongs to benzofurans, auxiliary class Metabolic Enzyme,PDE,Natural product, name is 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol, and the molecular formula is C14H10O4, Product Details of C14H10O4.

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

Ishfaq, Muhammad published the artcileInsight into potent TLR2 inhibitors for the treatment of disease caused by Mycoplasma pneumoniae based on machine learning approaches, Computed Properties of 56317-21-6, the publication is Molecular Diversity, database is CAplus and MEDLINE.

Mycoplasma pneumoniae (MP) is one of the most common pathogens that causes acute respiratory tract infections. Children experiencing MP infection often suffer severe complications, lung injury, and even death. Previous studies have demonstrated that Toll-like receptor 2 (TLR2) is a potential therapeutic target for treating the MP-induced inflammatory response. However, the screening of natural compounds has received more attention for the treatment of bacterial infections to reduce the likelihood of bacterial resistance. Herein, we screened compounds by combining mol. docking and machine learning approaches to find potential lead compounds for treating MP infection. First, all compounds were docked with the TLR2 receptor protein to screen for potential candidates. To predict drug bioactivity, a machine learning model (random forest) was trained for TLR2 inhibitors to obtain the predictive model. The model achieved significant squared correlation coefficient (R2) values for the training set (0.85) and validation set (0.84) of compounds The developed machine learning model was then used to predict the pIC50 values of the top 50 candidates from the Traditional Chinese compounds and Discovery Diversity sets of compounds As a result, these compounds are capable of inhibiting the inflammatory response induced by MP. However, prior to bringing these compounds to market, it is necessary to verify these results with addnl. biol. testing, including preclin. and clin. studies. Moreover, the present study provides a theor. basis for the use of natural compounds as potential candidates to treat pneumonia caused by MP.

Molecular Diversity published new progress about 56317-21-6. 56317-21-6 belongs to benzofurans, auxiliary class Metabolic Enzyme,PDE,Natural product, name is 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol, and the molecular formula is C14H10O4, Computed Properties of 56317-21-6.

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

Perry, Gregory J. P. published the artcileTransition-metal-free decarboxylative iodination: New routes for decarboxylative oxidative cross-couplings, Related Products of benzofurans, the publication is Journal of the American Chemical Society (2017), 139(33), 11527-11536, database is CAplus and MEDLINE.

Constructing products of high synthetic value from inexpensive and abundant starting materials is of great importance. Aryl iodides are essential building blocks for the synthesis of functional mols., and efficient methods for their synthesis from chem. feedstocks are highly sought after. Here we report a low-cost decarboxylative iodination that occurs simply from readily available benzoic acids and I₂. The reaction is scalable and the scope and robustness of the reaction is thoroughly examined Mechanistic studies suggest that this reaction does not proceed via a radical mechanism, which is in contrast to classical Hunsdiecker-type decarboxylative halogenations. In addition, DFT studies allow comparisons to be made between our procedure and current transition-metal-catalyzed decarboxylations. The utility of this procedure is demonstrated in its application to oxidative cross-couplings of aromatics via decarboxylative/C-H or double decarboxylative activations that use I₂ as the terminal oxidant. This strategy allows the preparation of biaryls previously inaccessible via decarboxylative methods and holds other advantages over existing decarboxylative oxidative couplings, as stoichiometric transition metals are avoided.

Journal of the American Chemical Society published new progress about 69626-75-1. 69626-75-1 belongs to benzofurans, auxiliary class Iodide,Benzofuran, name is 2-Iodobenzofuran, and the molecular formula is C8H5IO, Related Products of benzofurans.

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

Chen, Hong-Bin published the artcileAccessing 2-Arylbenzofurans by Cu^I₂(pip)₂-Catalyzed Tandem Coupling/Cyclization Reaction: Mechanistic Studies and Application to the Synthesis of Stemofuran A and Moracin M, Product Details of C14H10O4, the publication is Asian Journal of Organic Chemistry (2016), 5(11), 1345-1352, database is CAplus.

An asym. dinuclear copper(I) complex, Cu^I2(pip)₂ (pip = (2-picolyliminomethyl)pyrrole anion), was utilized to catalyze the tandem coupling/cyclization reaction of o-iodophenols and terminal alkynes, which led to the formation of valuable 2-arylbenzofurans I (R¹ = Ph, 4-EtC₆H₄, 1-naphthyl, etc.; R² = H, 4-MeO, 4-t-Bu, 4-Ph, 4-F, 4-Br) in good yields. DFT calculations showed that the two proximate copper atoms play cooperative roles throughout the catalytic cycle. Using this catalytic protocol, bioactive natural products stemofuran A and moracin M were concisely synthesized.

Asian Journal of Organic Chemistry published new progress about 56317-21-6. 56317-21-6 belongs to benzofurans, auxiliary class Metabolic Enzyme,PDE,Natural product, name is 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol, and the molecular formula is C14H10O4, Product Details of C14H10O4.

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

Tathe, Akash G. published the artcileLigand-Enabled Gold-Catalyzed C(sp²)-S Cross-Coupling Reactions, COA of Formula: C8H5IO, the publication is Organic Letters (2022), 24(24), 4459-4463, database is CAplus and MEDLINE.

C(sp²)-S cross-coupling reactions of aryl iodides and arylsulfonyl hydrazides under ligand-enabled, Au(I)/Au(III) redox catalysis was reported. This strategy operates under mild reaction conditions, requires no prefunctionalized aryl coupling partner and works across several aryl iodides. The reaction mechanism was supported with control experiments, mass spectrometry, and NMR studies.

Organic Letters published new progress about 69626-75-1. 69626-75-1 belongs to benzofurans, auxiliary class Iodide,Benzofuran, name is 2-Iodobenzofuran, and the molecular formula is C20H17FO4S, COA of Formula: C8H5IO.

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

Dej-adisai, Sukanya published the artcileDetermination of phytochemical compounds, and tyrosinase inhibitory and antimicrobial activities of bioactive compounds from Streblus ilicifolius (s vidal) corner, Computed Properties of 56317-21-6, the publication is Tropical Journal of Pharmaceutical Research (2016), 15(3), 497-506, database is CAplus.

Purpose: To determine the phytochem. content, and tyrosinase inhibitory and antimicrobial activities of the wood from S treblus ilicifolius (S. Vidal) Corner Methods: The dried wood of S. ilicifolius (8.70 kg) was extracted by maceration to give petroleum ether, Et acetate, ethanol and water extracts, resp. Dopachrome method was used to determine antityrosinase activity. Agar disk diffusion and modified broth microdilution methods were used to determine antimicrobial activity. Chromatog. techniques were used for phytochem. investigation. The structures elucidation of isolated compounds were identified by phys. properties and spectroscopic data including UV, IR, NMR and MS data and confirmed by comparison with previously reports. Results: The ethanol extract exhibited tyrosinase inhibition and antimicrobial activity against the Grampos. bacteria, Staphylococcus epidermidis and S. aureus. Phytochem. investigation showed five compounds, namely, (E)-2,4-dihydroxy-3-(3,7-dimethyl-2,6-octadienyl) benzaldehyde (1), phydroxybenzoic acid Me ester (2), umbelliferone (3), moracin M (4), trans-resveratrol (5). Compound 4 exhibited tyrosinase inhibition with half maximal inhibitory concentration (IC50) of 67.69 μg/mL, while compound 1 displayed strong activity against S. epidermidis, S. aureus and methicillin-resistant S. aureus (MRSA) with min. inhibitory concentration (MIC) of 8, 4 and 8 μg/mL, resp. and min. bactericidal concentration (MBC) of 32, 16 and 64 μg/mL, resp. Conclusion: This is the first report of the biol. activities and phytochem. composition of S. ilicifolius and the results indicate the high potentials of the plant for com. applications such as in facial whitening and anti-acne cream.

Tropical Journal of Pharmaceutical Research published new progress about 56317-21-6. 56317-21-6 belongs to benzofurans, auxiliary class Metabolic Enzyme,PDE,Natural product, name is 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol, and the molecular formula is C14H10O4, Computed Properties of 56317-21-6.

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