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Tryptanthrin
Couroupitine A · INDOLO[2,1-B]QUINAZOLINE-6,12-DIONE · NSC 349447 · TRYPTANTHRIN · Trypanthrine · tryptanthrine · TRYPTANTHRIN-D4 · Tryptanthrine-RM
Identifikatoren & physikalische Daten
| CAS No. | 13220-57-0 |
|---|---|
| Summenformel | C15H8N2O2 |
| Durchschnittliche Molmasse | 248,24 g/mol |
| Monoisotopische Masse | 248,0585775 g/mol |
| SMILES | O=C1c2ccccc2-n2c1nc1ccccc1c2=O |
| InChIKey | VQQVWGVXDIPORV-UHFFFAOYSA-N |
| PubChem CID | 73549 |
| ChEMBL | CHEMBL306946 |
| ChEBI | CHEBI:9768 |
| EC No. | 106-491-9 |
| DTXSID | DTXSID90157431 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 471 |
| Schmelzpunkt | 258 °C(Solv: ethanol (64-17-5)) |
| Siedepunkt | 469.3±28.0 °C(Predicted) |
| Dichte | 1.45±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO: soluble2mg/mL (warmed) |
| pKa (Säurekonstante) | -3.06±0.20(Predicted) |
| Aggregatzustand | powder |
| Farbe | faint yellow to dark yellow |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months. |
| Hauptanwendungen | food and beverages |
| InChI | 1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H |
| InChIKey | VQQVWGVXDIPORV-UHFFFAOYSA-N |
| SMILES | N21c3c(cccc3)C(=O)C2=Nc4c(cccc4)C1=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Beschreibung
The matured fruit of Couroupita guianensis yields two highly unsaturated alkaloids. Couroupitine A is obtained in the form of yellow needles when crystallized from MeOH-CHCI3. It gives an ultraivolet spectrum with absorption maxima at 225 and 251 nm and an inflexion at 315 nm in EtOH.
Verwenden
Tryptanthrin is natural alkaloid, and a potent inhibitor of cyclooxygenase COX-2 and 5-lipoxygenase acting as an anti-inflammatory agent.