Fulvestrant-3-boronic acid , CAS No.1853279-29-4

CAS: 1853279-29-4 Cat. No.: F1454004 Número EC: 866-802-5 PubChem CID: 126480615

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Fulvestrant-3-boronic acid is an orally active ERα inhibitor, which binds to ERα competitively ( IC 50 = 4.1 nM) and effectively degrades ERα in breast cancer cells.

Specifications

Condiciones de almacenamiento de almacenamiento

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.

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC2=C(C=C1)C3CCC4(C(C3C(C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)CCC4O)C)(O)O
• IUPAC Name: [(7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]boronic acid
• InChIKey: FIAYIYKWRBIBQG-GDWZZRAASA-N
• INCHI: 1S/C32H48BF5O4S/c1-30-17-15-26-25-12-11-24(33(40)41)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-43(42)19-9-16-31(34,35)32(36,37)38/h11-12,21-22,26-29,39-41H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,43?/m1/s1
• Isómeros SMILES: B(C1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)CC[C@@H]4O)C)(O)O
• CAS alternativo: 1853279-29-4
• PubChem CID: 126480615

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Estrane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Estrane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Estrane steroids
• Alternative Parents: 17-hydroxysteroids Phenanthrenes and derivatives Tetralins Sulfoxides Secondary alcohols Cyclic alcohols and derivatives Boronic acids Sulfinyl compounds Organic metalloid salts Organofluorides Organoboron compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 17-hydroxysteroid - Hydroxysteroid - Estrane-skeleton - Phenanthrene - Tetralin - Benzenoid - Cyclic alcohol - Sulfoxide - Secondary alcohol - Boronic acid - Boronic acid derivative - Organic metalloid salt - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organofluoride - Organoboron compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.
• External Descriptors: Not available

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