17-Dihydroexemestane
Grundinformationen
- CAS
122370-91-6- Standard-SMILES
C=C1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12- InChIKey
NFDPYPMRHKQTDM-NHWXPXPKSA-N- Summenformel
- C20H26O2
- Durchschnittliche Molmasse
- 298,4 g/mol
- Monoisotopische Masse
- 298,19328007
Namen und Bezeichner
- Bevorzugter Name
- 17-Dihydroexemestane
- IUPAC
- (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-6-methylidene-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-3-one
- Englischer Name
- Methylene boldenone
- Summenformel
- C20H26O2
- Molmasse
- 298.42
Namen und Synonyme
U35ZNO9DJHFCE-25071140461-66-1RefChem:35699817-DihydroexemestaneDhExe cpd122370-91-617-beta-Hydroxy Exemestane17beta-Hydroxy exemestaneExemestane EP Impurity H17b-Hydroxy Exemestane17|A-Hydroxy Exemestane
Weitere Namen anzeigen
(17β)-17β-Hydroxy Exemestane17--Hydroxy ExemestaneImpurity H in ezetimibeExemestane 17β-Hydroxy Impurity17β-Hydroxy ExeMestane SulfaMateExemestane Impurity 23 (Exemestane EP Impurity H)(17)-17-Hydroxy-6-methyleneandrosta-1,4-dien-3-one(17b)-17-Hydroxy-6-methyleneandrosta-1,4-dien-3-one
CHEMBL3407538Methylene boldenoneMethylene Boldenone,(1S,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-5-methylidene-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-6-methylidene-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-3-one17beta-hydroxy-6-methylideneandrosta-1,4-dien-3-one(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-6-methylene-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one17beta-Hydroxy-6-methylideneandrosta-1,4-dien-3-one (17beta-Hydroxyexemestane)
Datenbank-Bezeichner
- CAS
122370-91-6、140461-66-1- PubChem CID
- 11392371
- DTXSID
DTXSID00464522- ChEMBL
CHEMBL3407538- UNII
- U35ZNO9DJH
- Nikkaji
- J2.768.716D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 613
Physikochemische Eigenschaften
- Schmelzpunkt
- 134 · 134-136°C
- Dichte
- 1.14 · 1.14
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Off-White
- CAS Datenbank
- 122370 · 122370-91-6
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H319
Chemie und Industrie
Anwendungen
Beschreibung17β-hydroxy Exemestane is the primary active metabolite of exemestane . It is formed by metabolism of exemestane by the cytochrome P450 (CYP) isoforms CYP1A and CYP4A11. 17β-hydroxy Exemestane is an aromatase inhibitor (IC50 = 69 nM using human placental microsomes) and an androgen receptor (AR) agonist (IC50 = 39.6 nM) that is selective for AR over estrogen receptor α (ERα; IC50 = 21.2 μM). It stimulates growth of AR- and ERα-positive MCF-7 (EC50 = 2.7 μM) and T47D breast cancer cells (EC50s = 0.43 and 1,500 nM for AR- and ER-mediated growth, respectively) and inhibits proliferation of testosterone-treated aromatase-overexpressing MCF-7aro cells in a concentration-dependent manner. 17β-hydroxy Exemestane (20 mg/kg) inhibits increases in serum cholesterol and LDL levels and prevents decreases in bone mineral density in the lumbar vertebrae and femur, as well as femoral bending strength and compressive strength of the fifth lumbar vertebrae, in ovariectomized rats.
VerwendenA metabolite of Exemestane; exerts biological effects as an androgen.
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