6beta-Hydroxytestosterone
6β-hydroxy Testosterone · Nsc 9721 · 6BETA-HYDROXYTESTOSERONE · Testosterone Impurity 11 · 6β,17β-androst-4-en-3-one · 6β-Hydroxytestosterone D7 · D6-6β-Hydroxytestosterone · 6beta-Hydroxytestosterone
Identifikatoren & physikalische Daten
| CAS No. | 62-99-7 |
|---|---|
| Summenformel | C19H28O3 |
| Durchschnittliche Molmasse | 304,4 g/mol |
| Monoisotopische Masse | 304,20384475 g/mol |
| SMILES | C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O |
| InChIKey | XSEGWEUVSZRCBC-ZVBLRVHNSA-N |
| PubChem CID | 65543 |
| ChEMBL | CHEMBL2074878 |
| ChEBI | CHEBI:34477 |
| EC No. | 636-305-6 |
| DTXSID | DTXSID201018939 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 539 |
| Lipide | Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202] |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 172 °C≥205 °C |
| Physical Description | Solid |
| Siedepunkt | 479.8±45.0 °C(Predicted) |
| Dichte | 1.19±0.1 g/cm3(Predicted) |
| Flammpunkt | 9℃ |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Acetonitrile: 1 mg/mlEthanol: 1 mg/mlMethanol: 1 mg/ml |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | 13.98±0.70(Predicted) |
| Farbe | white to off-white |
| Hauptanwendungen | clinical testing |
| InChI | 1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1 |
| InChIKey | XSEGWEUVSZRCBC-ZVBLRVHNSA-N |
| SMILES | C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH351 (100%): Suspected of causing cancer [Warning Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Carc. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN1230 - class 3 - PG 2 - Methanol, solution |
| Zollcode | 29372290 |
| R-Sätze (R) | 61-40-39/23/24/25-23/24/25-11 |
| Gefahrensymbole | Xn,T,F |
| Sicherheitshinweise (S) | 53-22-36/37/39-45-36/37-16-7 |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrenklasse | Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1 |
Anwendungen & Verwendung
Beschreibung
CYP3A4 and CYP3A5 are cytochrome P450 enzymes whose expression is induced by glucocorticoids and certain xenobiotics, including many drugs and chemical carcinogens. They mediate the metabolism of xenobiotics as well as certain endobiotics, including steroid hormones. CYP3A4 and CYP3A5 are cytochrome P450 enzymes whose expression is induced by glucocorticoids and certain xenobiotics, including many drugs and chemical carcinogens. They mediate the metabolism of xenobiotics as well as certain endobiotics, including steroid hormones. 6β-hydroxy Testosterone is a major metabolite produced from testosterone by the actions of CYP3A4 and CYP3A5, accounting for 75-80% of all metabolites formed from testosterone. The biological effects of 6β-hydroxy testosterone have been poorly studied.
Verwenden
A metabolite of Testosterone. CONTROLLED SUBSTANC