Kuwanon A - Moligand™,≥98% , CAS No.62949-77-3

CAS: 62949-77-3 Cat. No.: K650837 Peso molecular: 420.45 PubChem CID: 44258296

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-(2,2-dimethyl-5-oxidanyl-chromen-8-yl)-3-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(3-methyl-2-buten-1-yl)- | 5,5',7-Trihydroxy-2',2'-dimethyl-3-(3-methyl

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Kuwanon A is a flavone derivative isolated from the root barks of the mulberry tree ( Morus alba L.); inhibits nitric oxide production with an IC 50 of 10.5 μM.

In Vitro

Kuwanon A shows significant inhibitory activity towards the differentiation of 3T3-L1 adipocytes with TG inhibition values of 47.1%. Kuwanon A also shows significant nitric oxide (NO) production inhibitory effects in RAW264.7 cells with an IC 50 of 10.5 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 10.5 μM (nitric oxide)

Specifications

Sinónimos

2-(2, 2-dimethyl-5-oxidanyl-chromen-8-yl)-3-(3-methylbut-2-enyl)-5, 7-bis(oxidanyl)chromen-4-one | 4H-1-Benzopyran-4-one, 5, 7-dihydroxy-2-(5-hydroxy-2, 2-dimethyl-2H-1-benzopyran-8-yl)-3-(3-methyl-2-buten-1-yl)- | 5, 5', 7-Trihydroxy-2', 2'-dimethyl-3-(3-methyl

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Kuwanon A is a flavone derivative isolated from the root barks of the mulberry tree ( Morus alba L.); inhibits nitric oxide production with an IC 50 of 10.5 μM.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)C
• IUPAC Name: 5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-8-yl)-3-(3-methylbut-2-enyl)chromen-4-one
• InChIKey: DBUNRZUFILGKHP-UHFFFAOYSA-N
• INCHI: 1S/C25H24O6/c1-13(2)5-6-16-22(29)21-19(28)11-14(26)12-20(21)30-23(16)17-7-8-18(27)15-9-10-25(3,4)31-24(15)17/h5,7-12,26-28H,6H2,1-4H3
• Isómeros SMILES: CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)C
• PubChem CID: 44258296
• Peso molecular: 420.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-prenylated flavones
• Alternative Parents: 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids 2,2-dimethyl-1-benzopyrans Chromones Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-prenylated flavone - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - 2,2-dimethyl-1-benzopyran - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 3-position.
• 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)

BACE1 Tchem Beta-secretase 1 (15641 Activities)

Discover Target: BACE1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Calu-3 (339 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive；Moisture sensitive
• Peso molecular: 420.500 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 420.157 Da
• Monoisotopic Mass: 420.157 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 805.000
• 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