HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Desmethyl-4-hydroxy Tamoxifen (approx. 1:1 E/Z Mixture)
E/Z Endoxifen · 4-hydroxy-N-desmethyltamoxifen · CS-2602 · 4OHNDtam · Endoxifen（E/Z=1: 1） · Endoxifen(EE/Z=1:1) · Endoxifen (Z/E=3:2) · 4-Hydroxy Endoxifen
Identifikatoren & physikalische Daten
| CAS No. | 110025-28-0 |
|---|---|
| Summenformel | C25H27NO2 |
| Durchschnittliche Molmasse | 373,49 g/mol |
| SMILES | CCC(=C(c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1 |
| InChIKey | MHJBZVSGOZTKRH-UHFFFAOYSA-N |
| PubChem CID | 130621 |
| ChEMBL | CHEMBL1949791 |
| EC No. | 808-709-4 |
Chemische & physikalische Eigenschaften
| Schmelzpunkt | 63-72°C |
|---|---|
| Siedepunkt | 519.3±50.0 °C(Predicted) |
| Dichte | 1.099±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform, Dichloromethane, DMSO, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.38±0.15(Predicted) |
| Farbe | Light Brown to Light Purple |
| Hauptanwendungen | clinicalclinical testing |
| InChI | 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 |
| InChIKey | MHJBZVSGOZTKRH-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(C(C2=CC=C(OCCNC)C=C2)=C(C2=CC=CC=C2)CC)C=C1 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 4Repr. 2 |
Anwendungen & Verwendung
Verwenden
A novel active metabolite of the anti-cancer drug Tamoxifen. It showed potent ER binding property, blocked estrogen stimulated growth of breast cancer cell and half maximal inhibition of estrogen responsive gene expression in ER pos. human breast ca