Tag: M.W=200-250

Kushwaha, Pragya published the artcileIdentification of new BACE1 inhibitors for treating Alzheimer’s disease, Synthetic Route of 56317-21-6, the publication is Journal of Molecular Modeling (2021), 27(2), 58, database is CAplus and MEDLINE.

Alzheimers disease (AD) is a type of brain disorder, wherein a person experiences gradual memory loss, state of confusion, hallucination, agitation, and personality change. AD is marked by the presence of extracellular amyloid plaques and intracellular neurofibrillary tangles (NFTs) and synaptic losses. Increased cases of AD in recent times created a dire need to discover or identify chem. compounds that can cease the development of AD. This study focuses on finding potential drug mol.(s) active against β-secretase, also known as β-site amyloid precursor protein cleaving enzyme 1 (BACE1). Clustering anal. followed by phylogenetic studies on microarray datasets retrieved from GEO browser showed that BACE1 gene has genetic relatedness with the RCAN1 gene. A ligand library comprising 60 natural compounds retrieved from literature and 25 synthetic compounds collected from DrugBank were screened. Further, 350 analogs of potential parent compounds were added to the library for the docking purposes. Mol. docking studies identified 11-oxotigogenin as the best ligand mol. The compound showed the binding affinity of – 11.1 Kcal/mol and forms three hydrogen bonds with Trp124, Ile174, and Arg176. The protein-ligand complex was subjected to 25 ns mol. dynamics simulation and the potential energy of the complex was found to be – 1.24579e+06 Kcal/mol. In this study, 11-oxotigogenin has shown promising results against BACE1, which is a leading cause of AD, hence warrants for in vitro and in vivo validation of the same. In addition, in silico identification of 11-oxotigogenin as a potential anti-AD compound paves the way for designing of chem. scaffolds to discover more potent BACE1 inhibitors.

Journal of Molecular Modeling 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, Synthetic Route of 56317-21-6.

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

Kryska, Anna published the artcileImproved, acid-catalyzed iodinating procedures for activated aromatics with (diacetoxyiodo)benzene as the oxidant, Application of 2-Iodobenzofuran, the publication is Journal of Chemical Research, Synopses (1999), 590-591, 2501-2517, database is CAplus.

Activated aromatics are effectively converted, at room temperature and within 15 min, into the corresponding mono-, di- or tri-iodinated products in anhydrous I₂-PhI(OAc)₂-AcOH-Ac₂O systems, acidified with catalytic amounts of concentrate H₂SO₄.

Journal of Chemical Research, Synopses 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, Application of 2-Iodobenzofuran.

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

Hong, Seung Youn published the artcileIr(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation, Computed Properties of 69626-75-1, the publication is Journal of the American Chemical Society (2018), 140(39), 12359-12363, database is CAplus and MEDLINE.

Described herein is the application of a strategy of ligand participation for the Ir-catalyzed imido transfer into alkynes. On the basis of a stoichiometric [3 + 2] cycloaddition of Cp*Ir(III)(κ²-N,O-chelate) with alkynyl dioxazolone, a catalytic haloamidation was developed for the first time by employing [Cp*IrCl₂]₂ precatalyst and NaX salts (X = Cl or Br) as practical halide sources to furnish synthetically versatile Z-(halovinyl)lactams, e.g. I (R = cyclopropyl, 1-cyclohexenyl, Ph, 4-MeOC₆H₄, 2-benzothienyl, PhCC, etc.), from alkynyl dioxazolones, e.g. II, with excellent stereoselectivity.

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, Computed Properties of 69626-75-1.

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

Luo, Juan published the artcileSeparation of phenols from ramulus mori by high-speed counter-current chromatography, Related Products of benzofurans, the publication is Tianran Chanwu Yanjiu Yu Kaifa (2012), 24(4), 486-489, database is CAplus.

A new method was developed for the separation and purification of phenols by high-speed counter-current chromatog.(HSCCC) from extract of Ramulus mori. The separation condition was determined as follows: n-hexane: Et acetate: methanol: water(1:1:1:2, volume/volume) as the solvent system, the upper phase as the stationary phase, the lower phase as the mobile phase, 2.0 mL/min of flow-rate, 900 rpm of rotation speed, and 75 mg of injection amount Trans-oxyresveratrol(25.2 mg), trans-resveratrol(7.4 mg), and moracin M(29.1 mg) were obtained and identified by HPLC, MS, ¹H and ¹³C NMR. It indicates that HSCCC can be used for separating the active compounds of Ramulus mori efficiently and exhibits many advantages compared with the column chromatog. method.

Tianran Chanwu Yanjiu Yu Kaifa 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, Related Products of benzofurans.

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

Culenova, Marie published the artcileMultiple In vitro biological effects of phenolic compounds from Morus alba root bark, Application In Synthesis of 56317-21-6, the publication is Journal of Ethnopharmacology (2020), 112296, database is CAplus and MEDLINE.

Morus alba L. is used in traditional Chinese medicine for the treatment of various diseases, including bacterial infections and inflammation. As a rich source of phenolic compounds, the plant is an object of many phytochem. and pharmacol. studies. The aim of the study was to isolate and evaluate possible parallel antiviral, antibacterial, and anti-inflammatory activities of phenolic mulberry compounds Extensive chromatog. separation of mulberry root bark extract and in vitro biol. screening of 26 constituents identified promising candidates for further pharmacol. research. Selected compounds were screened for anti-infective and anti-inflammatory activities. Antiviral activity was determined by the plaque number reduction assay and by the titer reduction assay, antibacterial using broth microdilution method, and anti-inflammatory activity using COX Colorimetric inhibitor screening assay kit. One compound was evaluated in vivo in carrageenan-induced paw-edema in mice. Five prenylated compounds 1, 2, 8, 9, and 11, together with a simple phenolic ester 13, exhibited inhibitory activity against the replication of herpes simplex virus 1 (HSV-1) or herpes simplex virus 2 (HSV-2), with IC₅₀ values ranging from 0.64 to 1.93 μg/mL, and EC₅₀ values 0.93 and 1.61 μg/mL. Mol. docking studies demonstrated the effects of the active compounds by targeting HSV-1 DNA polymerase and HSV-2 protease. In antibacterial assay, compounds 1, 4, 11, and 17 diminished the growth of all of the Gram-pos. strains tested, with MIC values of 1-16 μg/mL. The anti-inflammatory ability of several compounds to inhibit cyclooxygenase 2 (COX-2) was tested in vitro, and compound 16 displayed greater activity than the indomethacin, pos. control. Mulberrofuran B (11) showed anti-inflammatory activity in vivo against carrageenan-induced paw-edema in mice. Exptl. investigation showed promising antiviral, antibacterial, and/or anti-inflammatory activities of the phenolic mulberry constituents, often with multiple inhibitory effects that might be used as a potential source of new medicine.

Journal of Ethnopharmacology 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, Application In Synthesis of 56317-21-6.

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

Ristivojevic, Petar M. published the artcileHigh-performance thin-layer chromatography/bioautography and liquid chromatography-mass spectrometry hyphenated with chemometrics for the quality assessment of Morus alba samples, Formula: C14H10O4, the publication is Journal of Chromatography A (2019), 190-198, database is CAplus and MEDLINE.

Quality control is a crucial step in the production of effective and safe herbal remedies. The aim of this study was to develop a new, simple, and high throughput procedure for the quality assessment of herbal drugs using a high-performance thin-layer chromatog. (HPTLC)/bioautog. and UPLC-MS/MS approach combined with chemometrics. This was exemplarily shown for Morus alba L. root bark (sang bai pi; SBP). Bioautog. assays were developed for the identification of constituents with radical scavenging (DPPH assay) and antimicrobial activities (Bacillus subtilis, Escherichia coli) of 18 different M. alba samples, which was supported by UPLC-MS/MS anal. Further, the combination of bioautog. and chemometrics identified those samples with the most bioactive constituents. Plant materials collected from Serbia (11 samples) showed higher both radical scavenging and antimicrobial activities compared to samples provided from China (7 samples). Principal component anal. (PCA) confirmed the discrimination of geog. different samples and recognized their main markers responsible for differences between Serbian and Chinese samples. Most importantly for quality assessment, the combined HPTLC/bioautog. and UPLC-MS/MS approach not only allowed for a fast chem. profiling of the investigated samples and their unambiguous identification, but also for the disclosure of major and minor bioactive constituents present in SBP.

Journal of Chromatography A 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, Formula: C14H10O4.

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

Zheng, Zong-Ping published the artcileTyrosinase inhibition constituents from the roots of Morus australis, Recommanded Product: 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol, the publication is Fitoterapia (2012), 83(6), 1008-1013, database is CAplus and MEDLINE.

The phytochem. profiles of Morus australis roots, stems and twigs were firstly compared by HPLC anal. It was found that Morus australis stem extract mainly contained one known tyrosinase inhibitor, oxyresveratrol, while its root and twig extract might contain some unknown potential tyrosinase inhibitors. The root extract of Morus australis was further investigated in this study. One new compound, austraone A, together with 21 known compounds, was isolated and their structures were identified by interpretation of MS and NMR data. In the tyrosinase inhibitory testing, some of them, such as oxyresveratrol, moracenin D, sanggenon T, and kuwanon O, exhibited stronger tyrosinase inhibitory activities than that of kojic acid. These results suggested the Morus australis root extract as a good source of natural tyrosinase inhibitors with a great potential to be used in foods as anti-browning agents and in cosmetics as skin-whitening agents.

Fitoterapia 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 C18H28B2O4, Recommanded Product: 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol.

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

Haraguchi, Ryosuke published the artcilePalladium-Catalyzed Formylation of Arylzinc Reagents with S-Phenyl Thioformate, Safety of 2-Iodobenzofuran, the publication is Organic Letters (2017), 19(7), 1646-1649, database is CAplus and MEDLINE.

In the presence of Pd(OAc)₂ and tri(2-furyl)phosphine in toluene/THF, arylzinc reagents derived from aryl iodides and an alkenylzinc reagent were chemoselectively formylated with S-Ph thioformate PhSCHO to yield aryl aldehydes ArCHO (Ar = 4-NCC₆H₄, 4-EtO₂CC₆H₄, 4-i-Pr₂NCOC₆H₄, 4-ClC₆H₄, 4-BrC₆H₄, 3-ClC₆H₄, 3-BrC₆H₄, 4-MeOC₆H₄, 1,3-benzodioxol-5-yl, 4-HOC₆H₄, 4-Me₂NC₆H₄, 2-MeC₆H₄, 2-MeOC₆H₄, 2,4,6-Me₃C₆H₂, 2-naphthyl, 1-naphthyl, 2-thienyl, 2-benzofuranyl, 1-Me-5-indolyl) and trans-cinnamaldehyde in 56-97% yields. Using deuterated and ¹³C-labeled deuterated and ¹³C-labeled S-Ph thioformate, 4-DCOC₆H₄CN and 4-BrC₆H₄¹³CH:CH₂ were prepared in high isotopic purities by this method.

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 C8H5IO, Safety of 2-Iodobenzofuran.

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

Zhang, Dejiang published the artcileNickel- and Palladium-Catalyzed Cross-Coupling of Stibines with Organic Halides: Site-Selective Sequential Reactions with Polyhalogenated Arenes, SDS of cas: 69626-75-1, the publication is ACS Catalysis (2022), 12(2), 854-867, database is CAplus.

Herein, the authors disclose a general and efficient method for the synthesis of Sb-aryl and Sb-alkyl stibines by the Ni-catalyzed cross-coupling of halostibines with organic halides. The synthesized Sb-aryl stibines couple with aryl halides to give biaryls efficiently via Pd catalysis. Sequential reactions of stibines with polyhalogenated arenes bearing active C-I/C-Br sites and inactive C-Cl sites successfully proceeded, giving a variety of complex mols. with good site selectivity. Drugs such as diflunisal and fenbufen, as well as a fenofibrate derivative, were synthesized on gram scales in good yields, together with the high recovery of chlorostibine. Also, catalytic mechanisms are proposed based on the results of control experiments

ACS Catalysis 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 C6H13NO2, SDS of cas: 69626-75-1.

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

Zhang, Long published the artcileCharacterization of a new flavone and tyrosinase inhibition constituents from the twigs of Morus Alba L, Recommanded Product: 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol, the publication is Molecules (2016), 21(9), 1130/1-1130/9, database is CAplus and MEDLINE.

The twigs of Morus alba.L were found to show strong tyrosinase inhibition activity, and the responsible active components in the extract were further investigated in this study. A flavone, named morusone (1), and sixteen known compounds 2-17 were isolated from M. alba twigs and their structures were identified by interpretation of the corresponding ESI-MS and NMR spectral data. In the tyrosinase inhibitory test, the compounds steppogenin (IC50 0.98 ± 0.01 μM), 2,4,2′,4′-tetrahydroxychalcone (IC50 0.07 ± 0.02 μM), morachalcone A (IC50 0.08 ± 0.02 μM), oxyresveratrol (IC50 0.10 ± 0.01 μM), and moracin M (8.00 ± 0.22 μM) exhibited significant tyrosinase inhibition activities, much stronger than that of the pos. control kojic acid. These results suggest that M. alba twig extract should served as a good source of natural tyrosinase inhibitors for use in foods as antibrowning agents or in cosmetics as skin-whitening agents.

Molecules 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 C24H12, Recommanded Product: 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol.

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