(E/Z)-Endoxifen - ≥98%(HPLC) , CAS No.110025-28-0

CAS: 110025-28-0 Cat. No.: E286966 Peso molecular: 373.49 Número EC: 808-709-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

BCP18474 | BS-41687 | 4OHNDtam | UNII-HB2U71MNOT | 4-[1-[4-[2-(METHYLAMINO)ETHOXY]PHENYL]-2-PHENYL-1-BUTENYL]PHENOL | Endoxifen, (E)- | Phenol, 4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)- | Q26998030 | Phenol,4-[1-[4-[2-(methylamino)ethoxy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product description：

(E/Z)-Endoxifen is an active metabolite of tamoxifen produced by the sequential action of cytochrome P450 (CYP) isoforms, including CYP2D6. It is a strong anti-estrogen, as it has an approximately 100-fold greater affinity for estrogen receptors than tamoxifen. As the efficient conversion of tamoxifen to endoxifen depends on CYP2D6, polymorphisms in this CYP isoform can impact the effectiveness of TMX treatment.

Specifications

Sinónimos

BCP18474 | BS-41687 | 4OHNDtam | UNII-HB2U71MNOT | 4-[1-[4-[2-(METHYLAMINO)ETHOXY]PHENYL]-2-PHENYL-1-BUTENYL]PHENOL | Endoxifen, (E)- | Phenol, 4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)- | Q26998030 | Phenol, 4-[1-[4-[2-(methylamino)ethoxy

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Estrogen receptorα(ERα) ligand; potent antiestrogen. Metabolite oftamoxifen. Primary metabolite responsible for the effectiveness of tamoxifen in ER-positive breast cancer.

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

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488194223
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194223
• Sonrisas canónicas: CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3
• IUPAC Name: 4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
• InChIKey: MHJBZVSGOZTKRH-OCOZRVBESA-N
• INCHI: 1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24+
• Isómeros SMILES: CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3
• Peso molecular: 373.49
• Reaxy-Rn: 9655609
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9655609&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Phenylpropanes Phenoxy compounds Phenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Secondary amine - Ether - Secondary aliphatic amine - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 37.35, Max Conc. mM: 100
• Peso molecular: 373.500 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 373.204 Da
• Monoisotopic Mass: 373.204 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 467.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1