2-bromo 17β-Estradiol - Moligand™, ≥98% , CAS No.15833-07-5

CAS: 15833-07-5 Cat. No.: B1240612 Peso molecular: 351.28 Número EC: 853-151-7 PubChem CID: 266713

GRADE & PURITY Moligand™, ≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

2-bromo 17β-Estradiol is a synthetic steroid and an inhibitor of estrogen 2-hydroxylase. It inhibits estrogen 2-hydroxylase in rat liver microsomes when used at concentrations of 50 and 100 µM. 2-bromo 17β-Estradiol (5 mg/kg) prevents estrogen-induced inhibition of apomorphine-induced climbing behavior in mice.

Specifications

Especificaciones y pureza

Moligand™, ≥98%

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

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)Br)O
• IUPAC Name: 2-bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
• InChIKey: SORISAYAZBCIQH-UHFFFAOYSA-N
• INCHI: 1S/C18H23BrO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3
• Isómeros SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)Br)O
• PubChem CID: 266713
• Peso molecular: 351.28

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: Estrogens and derivatives
• Alternative Parents: Halogenated steroids 3-hydroxysteroids 17-hydroxysteroids Phenanthrenes and derivatives Tetralins O-bromophenols 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Secondary alcohols Cyclic alcohols and derivatives Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Estrogen-skeleton - 17-hydroxysteroid - Hydroxysteroid - Halo-steroid - 2-halo-steroid - 3-hydroxysteroid - Phenanthrene - Tetralin - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Aryl halide - Aryl bromide - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alcohol - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive
• Peso molecular: 351.300 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 350.088 Da
• Monoisotopic Mass: 350.088 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 414.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1