Negletein - Moligand™,≥99% , CAS No.29550-13-8

CAS: 29550-13-8 Cat. No.: N650979 Fórmula: C₁₆H₁₂O₅ Peso molecular: 284.26 Número EC: 802-126-9

GRADE & PURITY Moligand™, ≥99%

Synonyms

NCGC00385058-01!5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one | ST055981 | AKOS024282370 | BCP33551 | CHEBI:190121 | 7-methoxy-5,6-bis(oxidanyl)-2-phenyl-chromen-4-one | HY-N4285 | 5,6-Dihydroxy-7-methoxy-2-phenyl-chromen-4-one | 5,6-dihydroxy-7-methoxy-2

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Negletein (5,6-Dihydroxy-7-methoxyflavone) is a flavone found in Scutellaria. Negletein shows anti-inflammatory activity via inhibiting TNF-α and IL-1β with IC50 values of 16.4 and 6.4 μM, respectively. Negletein can activate Nrf2 and inhibit ROS production. Negletein can enhance the neuroprotective effect of nerve growth factor. Negletein can inhibit amyloid beta-peptide release and accumulation. Negletein can inhibit pathogens biofilms formation. Negletein can be used for the researches of cancer, infection, inflammation and neurological disease, such as colon cancer and Alzheimer's disease.

Specifications

Sinónimos

NCGC00385058-01!5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one | ST055981 | AKOS024282370 | BCP33551 | CHEBI:190121 | 7-methoxy-5,6-bis(oxidanyl)-2-phenyl-chromen-4-one | HY-N4285 | 5,6-Dihydroxy-7-methoxy-2-phenyl-chromen-4-one | 5,6-dihydroxy-7-methoxy-2

Especificaciones y pureza

Moligand™,≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O

IUPAC Name

5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one

InChIKey

ZTHLHHDJRXJGRX-UHFFFAOYSA-N

INCHI

1S/C16H12O5/c1-20-13-8-12-14(16(19)15(13)18)10(17)7-11(21-12)9-5-3-2-4-6-9/h2-8,18-19H,1H3

Isómeros SMILES

COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O

Peso molecular

284.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-O-methylated flavonoids
• Alternative Parents: Flavones 6-hydroxyflavonoids 5-hydroxyflavonoids Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - 6-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Vinylogous acid - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
• External Descriptors: Flavones and Flavonols

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

FBP1 Tchem Fructose-1,6-bisphosphatase (1199 Activities)

Discover Target: FBP1

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TOP2B Tclin DNA topoisomerase II beta (959 Activities)

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HT-29 (80576 Activities)

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SW480 (6023 Activities)

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H9 (1832 Activities)

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HepG2 (196354 Activities)

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Objetivos asociados (no humanos)

Salmonella typhimurium (15756 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Stenotrophomonas maltophilia (1743 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (351.79 mM; Need ultrasonic)
• Sensibilidad: light sensitive；Moisture sensitive
• Punto de fusión (°C): 218-220°C
• Peso molecular: 284.260 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 284.068 Da
• Monoisotopic Mass: 284.068 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 426.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1