HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
15-Oxoicosa-11,13-dienoic acid
15-OXOEDE · 15-OXO-11Z,13E-EICOSADIENOIC ACID · 15-KEDE · QZCMHXPXGACWLJ-QWAPPMFBSA-N · (11Z,13E)-15-oxoicosa-11,13-dienoic acid · 11,13-Eicosadienoic acid, 15-oxo-, (11Z,13E)-
Identifikatoren & physikalische Daten
| CAS No. | 105835-44-7 |
|---|---|
| Summenformel | C20H34O3 |
| Durchschnittliche Molmasse | 322,5 g/mol |
| Monoisotopische Masse | 322,25079494 g/mol |
| SMILES | CCCCCC(=O)C=CC=CCCCCCCCCCC(=O)O |
| InChIKey | QZCMHXPXGACWLJ-UHFFFAOYSA-N |
| PubChem CID | 53394271 |
| DTXSID | DTXSID10694010 |
Chemische & physikalische Eigenschaften
| XLogP | 6,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 16 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 356 |
| Siedepunkt | 477.8±18.0 °C(Predicted) |
| Dichte | 0.955±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | DMF: 50 mg/mlDMSO: 50 mg/mlEthanol: 50 mg/mlPBS pH 7.2: 1 mg/ml |
| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
Anwendungen & Verwendung
Beschreibung
15-OxoEDE is produced by the oxidation of 15-HEDE. 15-OxoEDE inhibits 5-LO from RBL-1 cells with an IC50 of 55 μM, which is about 2-fold lower than 15(S)-HEDE. A related oxo-eicosanoid, 5-oxoETE, is biosynthesized from 5(S)-HETE by a specific dehydrogenase and has potent inflammatory activity.