Day: February 24, 2023

Structure-Based Design of Novel EphA2 Agonistic Agents with Nanomolar Affinity in Vitro and in Cell was written by Gambini, Luca;Salem, Ahmed F.;Udompholkul, Parima;Tan, Xiao-Feng;Baggio, Carlo;Shah, Neh;Aronson, Alexander;Song, Jikui;Pellecchia, Maurizio. And the article was included in ACS Chemical Biology in 2018.Recommanded Product: 7-Methoxybenzofuran-2-carboxylic acid This article mentions the following:

EphA2 overexpression is invariably associated with poor prognosis and development of aggressive metastatic cancers in pancreatic, prostate, lung, ovarian, and breast cancers and melanoma. Recent efforts from our laboratories identified a number of agonistic peptides targeting the ligand-binding domain of the EphA2 receptor. The individual agents, however, were still relatively weak in affinities (micromolar range) that precluded detailed structural studies on the mode of action. Using a systematic optimization of the 12-mer peptide mimetic 123B9, we were able to first derive an agent that displayed a submicromolar affinity for the receptor. This agent enabled cocrystn. with the EphA2 ligand-binding domain providing for the first time the structural basis for their agonistic mechanism of action. In addition, the at. coordinates of the complex enabled rapid iterations of structure-based optimizations that resulted in a novel agonistic agent, named 135H11, with a nanomolar affinity for the receptor, as demonstrated by in vitro binding assays (isothermal titration calorimetry measurements), and a biochem. displacement assay. As we have recently demonstrated, the cellular activity of these agents is further increased by synthesizing dimeric versions of the compounds Hence, we report that a dimeric version of 135H11 is extremely effective at low nanomolar concentrations to induce cellular receptor activation, internalization, and inhibition of cell migration in a pancreatic cancer cell line. Given the pivotal role of EphA2 in tumor growth, angiogenesis, drug resistance, and metastasis, these agents, and the associated structural studies, provide significant advancements in the field for the development of novel EphA2-targeting therapeutics or diagnostics. In the experiment, the researchers used many compounds, for example, 7-Methoxybenzofuran-2-carboxylic acid (cas: 4790-79-8Recommanded Product: 7-Methoxybenzofuran-2-carboxylic acid).

7-Methoxybenzofuran-2-carboxylic acid (cas: 4790-79-8) belongs to benzofurans derivatives. Many natural or synthetic compounds containing benzofuran skeletons have been found to possess remarkable activity as agrochemicals and pharmaceuticals. Substituted benzofurans find applications such as fluorescent sensors, oxidants, in drug discovery, and in another field of chemistry and agriculture.Recommanded Product: 7-Methoxybenzofuran-2-carboxylic acid

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Structure base virtual screening for identifying inflammatory inhibitors was written by Tap, Fatahiya Mohamed;Khairudin, Nurul Bahiyah Ahmad;Mustafa, Iswaibah. And the article was included in IOP Conference Series: Materials Science and Engineering in 2021.Category: benzofurans This article mentions the following:

Phospholipase A2 (PLA2) is an enzyme that induces inflammation, making PLA2 activity an effective approach to reduce inflammation. Therefore, investigating natural compounds for this PLA2 inhibitory activity has important therapeutic potential. The objective of this study was to investigate the potential inhibitors for inflammatory diseases through a virtual screening approach. Out of 10,000 compounds from zinc database, only five compounds were selected based on the lowest free energy binding and further used for mol. interaction anal. These five compounds were Metacetamol (-11.43 kcal/mol), 7-Methoxybenzofuran2-carboxylic acid (-10.22 kcal/mol), 6-nitro-4H-1,3-benzodioxine-8-carbaldehyde (- 10.08kcal/mol), 4-(2-Amino-1,3-thiazol-4-yl)benzene-1,3-diol (-9.86 kcal/mol), and 1-Ethyl1H-indole-3-carbaldehyde (-9.53 kcal/mol). These findings also provide insight on valuable implications for the use of these five compounds in treating inflammation, and may help researchers develop more natural bioactive compounds in daily foods as anti-inflammatory agent. In the experiment, the researchers used many compounds, for example, 7-Methoxybenzofuran-2-carboxylic acid (cas: 4790-79-8Category: benzofurans).

7-Methoxybenzofuran-2-carboxylic acid (cas: 4790-79-8) belongs to benzofurans derivatives. Benzofuran derivatives are one of the most important oxygen-containing heterocycles. As benzofurans are prone to undergo ring opening of the heterocycle, examples of reduction of this type of aromatics by using dissolving metals are rather scarce.Category: benzofurans

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Wastewater treatment using nanomaterial quaternary photocatalyst ZrCdPbO₄ – Removal of color pollutant by an eco friendly process was written by Lohar, Saroj;Prajapati, Dushyant Kumar;Sharma, Anjali;Bhardwaj, Shipra. And the article was included in Journal of the Indian Chemical Society in 2021.Synthetic Route of C20H6I4Na2O5 This article mentions the following:

Pollution of environment is a major issue and has drawn attention of researchers throughout the globe. Water is polluted by various means like excretion of various industries and house releases, for example release of yarn, paper, and cloth industries, etc. Present investigation consists of removal of such a pollutant. For this, synthesis of a novel quaternary nano particle sized photocatalyst ZrCdPbO₄ is carried and its characterization by different anal. techniques is also carried out. This is further used for removal of color pollutants from the environment and Erythrosine-B is considered as a role model. Effect of various operational parameters like pH, concentration of dye, amount of photocatalyst, irradiation power, etc. is studied, maximum degradation condition is extracted, and it is observed that reaction follows pseudo first order kinetics. Scavenger study suggests the participation of OH free radical in the reaction. Complete degradation of the dye in presence of light and photocatalyst is reported here by. Reusability of the photocatalyst is tested and is found to work up to five cycles efficiently. In the experiment, the researchers used many compounds, for example, Sodium 2′,4′,5′,7′-tetraiodo-3-oxo-3H-spiro[isobenzofuran-1,9′-xanthene]-3′,6′-bis(olate) (cas: 16423-68-0Synthetic Route of C20H6I4Na2O5).

Sodium 2′,4′,5′,7′-tetraiodo-3-oxo-3H-spiro[isobenzofuran-1,9′-xanthene]-3′,6′-bis(olate) (cas: 16423-68-0) belongs to benzofurans derivatives. Benzofuran derivatives have shown many biological activities, including antifungal and antimicrobial properties, and acting as antagonists of H3 receptors and angiotensin II. They are also prone to polymerisation in the presence of concentrated mineral acids and Lewis acids.Synthetic Route of C20H6I4Na2O5

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Chemical profiling of anti-hepatocellular carcinoma constituents from Caragana tangutica Maxim. by off-line semi-preparative HPLC-NMR was written by Yang, Xinzhou;Huang, Mi;Cai, Jinyan;Lv, Dan;Lv, Jingnan;Zheng, Sijian;Ma, Xinhua;Zhao, Ping;Wang, Qiang. And the article was included in Natural Product Research in 2017.Safety of (2S,3R,4S,5S,6R)-2-(((6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4′,5′:5,6]benzofuro[3,2-c]chromen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol This article mentions the following:

An EtOAc fraction from the roots of Caragana tangutica Maxim. (CTEA) displayed promising anti-hepatocellular carcinoma (HCC) activity during screening of a traditional Chinese ethnic herb library against HepG2 and Hep3B cell lines. HPLC-based activity profiling of CTEA by combination of MS-guided large-scale semi-preparative HPLC and NMR methods led to the identification of a new pterocarpan glycoside, (-)-maackiain 3-O-6′-O-Me malonyl-β-D-glucopyranoside (1), together with three known pterocarpan glycosides, (-)-maackiain 3-O-β-D-glucopyranoside (), 3-O-6′-O-acrylyl-β-D-galactopyranoside (), and (-)-maackiain 3-O-6′-O-acetyl-β-D-glucopyranoside (). Compound 1 was isolated during a drug discovery program aimed at identifying new anti-HCC leads from a natural product library. Anti-HCC study showed that all four compounds exhibited cytotoxic activity with IC₅₀ values range of 29.1-53.5 μg/mL against HepG2 and Hep3B cell lines. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-2-(((6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4′,5′:5,6]benzofuro[3,2-c]chromen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 6807-83-6Safety of (2S,3R,4S,5S,6R)-2-(((6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4′,5′:5,6]benzofuro[3,2-c]chromen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol).

(2S,3R,4S,5S,6R)-2-(((6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4′,5′:5,6]benzofuro[3,2-c]chromen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 6807-83-6) belongs to benzofurans derivatives. Benzofuran is a core structural unit found in many naturally occurring compounds with multidirectional biological activities. In nature, benzofurans have occupied an important role among the plant phenols & several pharmacologically active compounds.Safety of (2S,3R,4S,5S,6R)-2-(((6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4′,5′:5,6]benzofuro[3,2-c]chromen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Fluorescent Bisphosphonate and Carboxyphosphonate Probes: A Versatile Imaging Toolkit for Applications in Bone Biology and Biomedicine was written by Sun, Shuting;Blazewska, Katarzyna M.;Kadina, Anastasia P.;Kashemirov, Boris A.;Duan, Xuchen;Triffitt, James T.;Dunford, James E.;Russell, R. Graham G.;Ebetino, Frank H.;Roelofs, Anke J.;Coxon, Fraser P.;Lundy, Mark W.;McKenna, Charles E.. And the article was included in Bioconjugate Chemistry in 2016.Reference of 92557-80-7 This article mentions the following:

A bone imaging toolkit of 21 fluorescent probes with variable spectroscopic properties, bone mineral binding affinities, and antiprenylation activities has been created, including a novel linking strategy. The linking chem. allows attachment of a diverse selection of dyes fluorescent in the visible to near-IR range to any of the three clin. important heterocyclic bisphosphonate bone drugs (risedronate, zoledronate, and minodronate or their analogs). The resultant suite of conjugates offers multiple options to “mix and match” parent drug structure, fluorescence emission wavelength, relative bone affinity, and presence or absence of antiprenylation activity, for bone-related imaging applications. In the experiment, the researchers used many compounds, for example, 2,5-Dioxopyrrolidin-1-yl 3′,6′-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9′-xanthene]-5-carboxylate (cas: 92557-80-7Reference of 92557-80-7).

2,5-Dioxopyrrolidin-1-yl 3′,6′-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9′-xanthene]-5-carboxylate (cas: 92557-80-7) belongs to benzofurans derivatives.Benzofuran is one of the most significant oxygen-containing heterocycles consisting of fused benzene and furan ring, which are widely presented in various naturally occurring and synthetically active compounds. Benzofurans have also made significant and distinctive contributions to biology. They exhibit several biological activities that range from antioxidant, antitubercular, antiplasmodial, insecticidal.Reference of 92557-80-7

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Chemo- and Site-Selective Fischer Esterification Catalyzed by B(C₆F₅)₃ was written by Li, Ya-Lan;Pang, Jin-Yu;Lou, Ji-Cong;Sun, Wen-Wu;Liu, Ji-Kai;Wu, Bin. And the article was included in Asian Journal of Organic Chemistry in 2021.Application In Synthesis of 2-Benzofuranacetic acid This article mentions the following:

A direct and catalytic dehydrative esterification of carboxylic acids RC(O)OH [R = hept-1-yn-1-yl, 2-(naphthalen-2-yl)ethyl, (1-methyl-1H-indol-3-yl)methyl, 1-([(benzyloxy)carbonyl]amino)ethyl, etc.] with alcs. R¹OH (R¹ = Et, cyclohexyl, 2,3-dihydroxypropyl, etc.) is described. B(C₆F₅)₃ is shown to be a highly effective catalyst for the Fischer esterification, providing esters RC(O)OR¹ in high to excellent yields. This esterification shows excellent chemo- and site-selective monoesterification of various polyols R¹OH without any protection step, including bio-derived mol. glycerol. In the experiment, the researchers used many compounds, for example, 2-Benzofuranacetic acid (cas: 62119-70-4Application In Synthesis of 2-Benzofuranacetic acid).

2-Benzofuranacetic acid (cas: 62119-70-4) belongs to benzofurans derivatives. Many natural or synthetic compounds containing benzofuran skeletons have been found to possess remarkable activity as agrochemicals and pharmaceuticals. Introduction of benzofurans in organic synthesis, particularly drug synthesis, involves generally the use of their metalated species as nucleophiles in addition reactions or in metal-catalysed cross-coupling reactions.Application In Synthesis of 2-Benzofuranacetic acid

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Study on the chemical constituents of Sophora tonkinensis from Guangxi was written by Long, Jin-qiao;Lin, Hua;Yang, Xiang-dong;Zhao, Jing-feng;Li, Liang. And the article was included in Yunnan Daxue Xuebao, Ziran Kexueban in 2011.Name: (2S,3R,4S,5S,6R)-2-(((6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4′,5′:5,6]benzofuro[3,2-c]chromen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol This article mentions the following:

The chem. constituents of Sophora tonkinensis Gapnep. were studied and ten compounds were isolated by silica column chromatog. and recrystallization The structures of the compounds were elucidated as maackiain (1), trifolirhizin (2), liquiritigenin (3), 7,4′-dihydroxy-flavone (4), stigmasterol (5), lupeol (6), pentadecanoic acid (7), benzoic acid (8), β-sitosterol (9) and daucosterol (10) by spectral anal. Compounds 3, 4, 6, 7 and 8 were isolated from this plant for the first time. In the experiment, the researchers used many compounds, for example, (2S,3R,4S,5S,6R)-2-(((6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4′,5′:5,6]benzofuro[3,2-c]chromen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 6807-83-6Name: (2S,3R,4S,5S,6R)-2-(((6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4′,5′:5,6]benzofuro[3,2-c]chromen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol).

(2S,3R,4S,5S,6R)-2-(((6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4′,5′:5,6]benzofuro[3,2-c]chromen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (cas: 6807-83-6) belongs to benzofurans derivatives. Benzofuran is the “”parent”” of many related compounds with more complex structures. For example, psoralen is a benzofuran derivative that occurs in several plants. Substituted benzofurans find applications such as fluorescent sensors, oxidants, in drug discovery, and in another field of chemistry and agriculture.Name: (2S,3R,4S,5S,6R)-2-(((6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4′,5′:5,6]benzofuro[3,2-c]chromen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Effect of rifaximin in the prevention of acute kidney injury and hepatorenal syndrome type II in Egyptian HCV cirrhotic patients was written by El-Gebaly, Ahmed Mohamed;Ghanem, Nermin Saad;Abdelmoaty, Ahmed Attia. And the article was included in Zagazig University Medical Journal in 2021.SDS of cas: 80621-81-4 This article mentions the following:

Hepatorenal syndrome type II and acute kidney injury found in 20% of cirrhotic patients. Rifaximin was found to reduce the frequency of hepatorenal syndrome type II and acute kidney injury in alc. cirrhotic patients. This study aimed to evaluate the efficacy of rifaximin in prevention of hepatorenal syndrome type II and acute kidney injury in Egyptian HCV cirrhotic patients. The study included 120 patients with decompensated post HCV cirrhosis selected from patients admitted to Tropical Medicine department and intensive care unit and from patients admitted to Internal Medicine department and intensive care unit. They were classified into two groups the first was a control group (n = 60) and the second was the rifaximin group (n = 60). Rifaximin group patients were administered rifaximin tablet 550 mg twice daily for 12 wk. All patients were revaluated every 4 wk and followed up for 12 wk in Tropical Medicine outpatient clinic and Internal Medicine outpatient clinic. The incidence rate ratio of acute kidney injury (IRR 0.7 [95% CI 0.53-0.92]) and hepatorenal syndrome type II (IRR 0.21 [95% CI 0.06-0.70]) was statistically lower in the rifaximin group than the control group. The estimated mean change in the control group was higher than the rifaximin group in blood urea nitrogen [18.93(17.34-20.52) vs. 16.145(13.09-19.2) mg/dL; P = 0.029] and serum creatinine [1.0525(0.9425-1.1625) vs. 0.995(0.885-1.105) mg/dL; P = 0.038]. Use of rifaximin is associated with decreased incidence of hepatorenal syndrome type II and acute kidney injury in Egyptian HCV cirrhotic patients. In the experiment, the researchers used many compounds, for example, (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-25-(Acetyloxy)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-2,7-(epoxypentadeca[1,11,13]trienimino)benzofuro[4,5-e]pyrido[1,2-a]benzimidazole-1,15(2H)-dione (cas: 80621-81-4SDS of cas: 80621-81-4).

(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-25-(Acetyloxy)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-2,7-(epoxypentadeca[1,11,13]trienimino)benzofuro[4,5-e]pyrido[1,2-a]benzimidazole-1,15(2H)-dione (cas: 80621-81-4) belongs to benzofurans derivatives. Benzofuran is the “”parent”” of many related compounds with more complex structures. For example, psoralen is a benzofuran derivative that occurs in several plants. They are also prone to polymerisation in the presence of concentrated mineral acids and Lewis acids.SDS of cas: 80621-81-4

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Ultrastable shelled PFC nanobubbles: A platform for ultrasound-assisted diagnostics, and therapy was written by Hanieh, Patrizia Nadia;Ricci, Caterina;Bettucci, Andrea;Marotta, Roberto;Moran, Carmel Mary;Cantu, Laura;Carafa, Maria;Rinaldi, Federica;Del Favero, Elena;Marianecci, Carlotta. And the article was included in Nanomedicine (New York, NY, United States) in 2022.Electric Literature of C30H26N2O13 This article mentions the following:

Nanoscale echogenic bubbles (NBs), can be used as a theranostic platform for the localized delivery of encapsulated drugs. However, the generation of NBs is challenging, because they have lifetimes as short as milliseconds in solution The aim of this work has been the optimization of a preparation method for the generation of stable NBs, characterized by measuring: a) acoustic efficiency, b) nano-size, to ensure passive tumor targeting, c) stability during storage and after injection and d) ability to entrap drugs. NBs are monodisperse and ultra-stable, their stability achieved by generation of an amphiphilic multilamellar shell able to efficiently retain the PFC gas. The NBs perform as good acoustic enhancers over a wide frequency range and out of resonant conditions, as tested in both in vitro and in vivo experiments, proving to be a potential platform for the production of versatile carriers to be used in ultrasound-assisted diagnostic, therapeutic and theranostic applications. In the experiment, the researchers used many compounds, for example, 2,2′,2”,2”’-(((3′,6′-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9′-xanthene]-2′,7′-diyl)bis(methylene))bis(azanetriyl))tetraacetic acid (cas: 1461-15-0Electric Literature of C30H26N2O13).

2,2′,2”,2”’-(((3′,6′-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9′-xanthene]-2′,7′-diyl)bis(methylene))bis(azanetriyl))tetraacetic acid (cas: 1461-15-0) belongs to benzofurans derivatives. Benzofurans are compounds with a planar structure having 10 pi electrons that include the lone pair on oxygen atom, which makes it more susceptible to electrophilic attack. Benzofurans are stable towards alkali and readily polymerize on treatment with sulfuric acid, due to which they are useful for the preparation of low cost chemically relatively inert resins.Electric Literature of C30H26N2O13

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Effects of thermal desorption on the composition of two coking plant soils: Impact on solvent extractable organic compounds and metal bioavailability was written by Biache, Coralie;Mansuy-Huault, Laurence;Faure, Pierre;Munier-Lamy, Colette;Leyval, Corinne. And the article was included in Environmental Pollution (Oxford, United Kingdom) in 2008.Related Products of 205-39-0 This article mentions the following:

To evaluate the efficiency and the influence of thermal desorption on the soil organic compartment, contaminated soils from coking plant sites (NM and H) were compared to their counterparts treated with thermodesorption. The extractable organic matter, and the metal content and distribution with soil compartments were studied. In both thermodesorbed soils, PAH (polycyclic aromatic hydrocarbon) degradation exceeded 90%. However, the thermal desorption led not only to a volatilization of the organic compounds but also to the condensation of extractable organic matter. The treatments only affected the Fe and Zn distribution within the more stable fractions, whereas the organic compound degradation did not affect their mobility and availability. In the experiment, the researchers used many compounds, for example, Naphtho[2,1-b]benzofuran (cas: 205-39-0Related Products of 205-39-0).

Naphtho[2,1-b]benzofuran (cas: 205-39-0) belongs to benzofurans derivatives. Benzofuran is a core structural unit found in many naturally occurring compounds with multidirectional biological activities. Benzofurans have also made significant and distinctive contributions to biology. They exhibit several biological activities that range from antiviral, antimicrobial, antitumor, anti-inflammatory.Related Products of 205-39-0

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem