4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile
Grundinformationen
- CAS
143782-20-1- Standard-SMILES
CC1(C)NC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O- InChIKey
CYCKLVAQENOQPG-UHFFFAOYSA-N- Summenformel
- C13H10F3N3O2
- Durchschnittliche Molmasse
- 297,23 g/mol
- Monoisotopische Masse
- 297,07251122
Namen und Bezeichner
- Bevorzugter Name
- 4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile
- IUPAC
- 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
- Englischer Name
- 4-(4,4-DiMethyl-2,5-dioxoiMidazolidin-1-yl)-2-trifluoroMethylbenzonitrile
- Summenformel
- C13H10F3N3O2
- Molmasse
- 297.23
Namen und Synonyme
143782-20-14-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrileCyanonilutamide4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile4-(4,4-Dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrileRU-56279Benzonitrile, 4-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)-6PAG4TC385CHEMBL146858cyano-nilutamide4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-2-trifluoromethylbenzonitrile; RU 56279MFCD19689673
Weitere Namen anzeigen
185807RU 562794-(4,4-dimethyl-2,5-dioxyimidazolealkane-1-yl)-2-trifluoromethylbenzenemethylnitrile
UNII-6PAG4TC385SCHEMBL629858orb3174685DTXSID901143349GLXC-04032BDBM501359082-(trifluoromethyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile4-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Datenbank-Bezeichner
- CAS
143782-20-1- PubChem CID
- 11162285
- DTXSID
DTXSID901143349- ChEMBL
CHEMBL146858- UNII
- 6PAG4TC385
- Nikkaji
- J1.523.114I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 73,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 520
Physikochemische Eigenschaften
- Dichte
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 7.69 · 7.69±0.70(Predicted)
Sicherheit und Regulatorisches
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
Verwenden4-(4,4-Dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile is an intermediate in the synthesis of Oxo-MDV 3100 (Oxo-enzalutamide) (O857800), which is an impurity of Enzalutamide (M199800), which is an androgen-receptor antagonist that blocks androgens from binding to the androgen receptor and prevents nuclear translocation and co-activator recruitment of the ligand-receptor complex. Enzalutamide has been shown to induce tumor cell apoptosis, and is used for the treatment of castration-resistant prostate cancer.
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