Ralaniten Acetate
Grundinformationen
- CAS
1637573-04-6- Standard-SMILES
CC(=O)OC[C@H](COc1ccc(C(C)(C)c2ccc(OC[C@@H](CCl)OC(C)=O)cc2)cc1)OC(C)=O- InChIKey
HGHVYYKTOXUQNT-CLJLJLNGSA-N- Summenformel
- C27H33ClO8
- Durchschnittliche Molmasse
- 521 g/mol
- Monoisotopische Masse
- 520,1863957
Überblick
Ralaniten Acetate is an orally bioavailable, small molecule inhibitor of the acetate form of ralaniten, a N-terminal domain (NTD) of the androgen receptor (AR), with potential antineoplastic activity. Upon oral administration of ralaniten acetate, ralaniten specifically binds to the NTD of AR, thereby inhibiting both AR activation and the AR-mediated signaling pathway. This inhibits cell growth in AR-overexpressing tumor cells. AR is overexpressed in prostate cancers and is involved in proliferation, survival and chemoresistance of tumor cells.
Namen und Bezeichner
- Bevorzugter Name
- Ralaniten Acetate
- IUPAC
- [(2S)-2-acetyloxy-3-[4-[2-[4-[(2S)-2-acetyloxy-3-chloropropoxy]phenyl]propan-2-yl]phenoxy]propyl] acetate
- Englischer Name
- (R)-3-(4-(2-(4-((S)-2-acetoxy-3-chloropropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diyl diacetate
- Summenformel
- C27H33ClO8
- Molmasse
- 521
Namen und Synonyme
Ralaniten acetate1637573-04-6epi-506L10K286T2HDTXSID5010190551,2-Propanediol, 3-(4-(1-(4-((2S)-2-(acetyloxy)-3-chloropropoxy)phenyl)-1-methylethyl)phenoxy)-, 1,2-diacetate, (2S)-1,2-Propanediol, 3-[4-[1-[4-[(2S)-2-(acetyloxy)-3-chloropropoxy]phenyl]-1-methylethyl]phenoxy]-, 1,2-diacetate, (2S)-RefChem:178582AR Inhibitor EPI-506DTXCID501477051Ralaniten triacetateRalaniten acetate [USAN]
Weitere Namen anzeigen
Ralaniten triacetate(EPI-506)(R)-3-(4-(2-(4-((S)-2-acetoxy-3-chloropropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diyl diacetate
UNII-L10K286T2H(S)-3-(4-(2-(4-((S)-2-acetoxy-3-chloropropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diyl diacetateRalaniten acetate (USAN)[(2S)-2-acetyloxy-3-[4-[2-[4-[(2S)-2-acetyloxy-3-chloropropoxy]phenyl]propan-2-yl]phenoxy]propyl] acetateC27H33ClO8orb1693793CHEMBL4297675SCHEMBL16232971
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,1
- Polarare Oberfläche (TPSA)
- 97,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 696
Physikochemische Eigenschaften
- Siedepunkt
- 619 · 619.0±55.0 °C(Predicted)
- Dichte
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 100 mg/mL · DMSO : 100 mg/mL (191.94 mM; Need ultrasonic)
- Aggregatzustand
- Liquid
- Farbe
- Colorless to light yellow
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…