Kuwanon H - Moligand™,≥98% , Antagonist of BB 1 receptor;Antagonist of BB 2 receptor, CAS No.76472-87-2, Antagonist of BB 1 receptor;Antagonist of BB 2 receptor

CAS: 76472-87-2 Cat. No.: K611363 Peso molecular: 760.82 PubChem CID: 5281668

GRADE & PURITY Moligand™, ≥98%

Synonyms

HY-N2600 | 2-(2,4-BIS(OXIDANYL)PHENYL)-8-((1S,5S,6R)-5-(2,4-BIS(OXIDANYL)PHENYL)-3-METHYL-6-(3-(3-METHYLBUT-2-ENYL)-2,4-BIS(OXIDANYL)PHENYL)CARBONYL-CYCLOHEX-2-EN-1-YL)-3-(3-METHYLBUT-2-ENYL)-5,7-BIS(OXIDANYL)CHROMEN-4-ONE | 8-[(1S,5R,6S)-6-[2,4-Dihydroxy

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

HY-N2600 | 2-(2, 4-BIS(OXIDANYL)PHENYL)-8-((1S, 5S, 6R)-5-(2, 4-BIS(OXIDANYL)PHENYL)-3-METHYL-6-(3-(3-METHYLBUT-2-ENYL)-2, 4-BIS(OXIDANYL)PHENYL)CARBONYL-CYCLOHEX-2-EN-1-YL)-3-(3-METHYLBUT-2-ENYL)-5, 7-BIS(OXIDANYL)CHROMEN-4-ONE | 8-[(1S, 5R, 6S)-6-[2, 4-Dihydroxy

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Kuwanon H is a flavonoid isolated from Morus alba, which acts as a potent non-peptide bombesin receptor antagonist. Kuwanon H selectively inhibits binding of gastrin releasing peptide CRP to GRP-preferring recepotr, with a Ki value of 290 nM in cells.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

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

ANTAGONIST

Mecanismo de acción

Antagonist of BB 1 receptor;Antagonist of BB 2 receptor

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O
• IUPAC Name: 8-[(1S,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
• InChIKey: DKBPTKFKCCNXNH-QXGWMLRCSA-N
• INCHI: 1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m0/s1
• Isómeros SMILES: CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=C(C5=C4OC(=C(C5=O)CC=C(C)C)C6=C(C=C(C=C6)O)O)O)O
• PubChem CID: 5281668
• Peso molecular: 760.82

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: 8-prenylated flavones
• Alternative Parents: 3-prenylated flavones Linear diarylheptanoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl-phenylketones Chromones Benzoyl derivatives Aryl alkyl ketones Resorcinols 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Heteroaromatic compounds Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-prenylated flavone - 8-prenylated flavone - Linear 1,7-diphenylheptane skeleton - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Alkyl-phenylketone - Chromone - Benzopyran - 1-benzopyran - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Pyran - Vinylogous acid - Heteroaromatic compound - Ketone - Oxacycle - 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 8-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 8-position.
• External Descriptors: flavones

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)

GRPR Tchem Gastrin-releasing peptide receptor (1 Activities)

Discover Target: GRPR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NMBR Tchem Neuromedin-B receptor (1 Activities)

Discover Target: NMBR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Peso molecular: 760.800 g/mol
• XLogP3: 9.200
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 760.288 Da
• Monoisotopic Mass: 760.288 Da
• Topological Polar Surface Area: 205.000 Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 1560.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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