HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Enoximone
Perfan · Pedane · RMI-17043 · ENOXIMONE · MDL-17043 · Fenoximone · Enoximone USP/EP/BP · Enoximone, 10 mM in DMSO
Identifikatoren & physikalische Daten
| CAS No. | 77671-31-9 |
|---|---|
| Summenformel | C12H12N2O2S |
| Durchschnittliche Molmasse | 248,3 g/mol |
| Monoisotopische Masse | 248,06194862 g/mol |
| SMILES | CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1 |
| InChIKey | ZJKNESGOIKRXQY-UHFFFAOYSA-N |
| PubChem CID | 53708 |
| ChEMBL | CHEMBL249856 |
| ChEBI | CHEBI:135010 |
| EC No. | 989-259-7 |
| DTXSID | DTXSID8045147 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 371 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 1.55 |
| Löslichkeit | 6.82e-02 g/LDMSO: 28 mg/mL, soluble |
| Schmelzpunkt | 256 °C255-258°C |
| Physical Description | Solid |
| Dichte | 1.33 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 10.37±0.70(Predicted) |
| Aggregatzustand | solid |
| Farbe | light yellow |
| InChI | 1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16) |
| InChIKey | ZJKNESGOIKRXQY-UHFFFAOYSA-N |
| SMILES | CSc1ccc(cc1)C(=O)C2=C(C)NC(=O)N2 |
| CAS Datenbank | 77671-31-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - 2H-Imidazol-2-one, 1,3-dihydro-4-methyl-5-(4-(methylthio)benzoyl)-: Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3249 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
Enoximone is a phosphodiesterase inhibitor indicated for selective use as a cardiostimulant in heart transplant patient maintenance. It is currently being investigated for other indications including acute congestive heart failure.
Verwenden
Enoximone is a phosphodiesterase inhibitor used in the treatment of congestive heart failure and is selective to phosphodiesterase 3. Potent PDE-3 inhibitor.