Endoxifen (E-isomer) - ≥97% , CAS No.114828-90-9

CAS: 114828-90-9 Cat. No.: E651385 Fórmula: C₂₅H₂₇NO₂ Peso molecular: 373.49 Número CE: 808-709-4

GRADE & PURITY ≥97%

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

Visão geral

Endoxifen E-isomer (E-Endoxifen), an E-isomer of Endoxifen, is an impurity in Endoxifen Z-isomer agent substance. Endoxifen E-isomer exhibits antiestrogenic effects.

In Vitro

Endoxifen E-isomer (1-1000 nM; 12 h) inhibits PGR gene expression in E 2 -induced MCF-7 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

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

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

Endoxifen E-isomer (E-Endoxifen), an E-isomer of Endoxifen, is an impurity in Endoxifen Z-isomer agent substance. Endoxifen E-isomer exhibits antiestrogenic effects.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: 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+
• SMILES isoméricas: CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3
• CAS alternativo: 110025-28-0,114828-90-9
• Número NSC: 750182
• Termos de entrada MeSH: 4-hydroxy-N-demethyltamoxifen;4-hydroxy-N-desmethyltamoxifen;4-hydroxy-N-desmethyltamoxifen, (Z)-isomer;endoxifen;Z-endoxifen
• 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
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 50 mg/mL (133.87 mM; Need ultrasonic)
• 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