HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7-Ethoxyresorufin
ETHOXYRESORUFIN · 7-ETHOXYRESORUFIN · 7-ER · O7-ETHYLRESORUFIN · 7-Ethoxy Rresorufin · 7-Ethoxyphenoxazone · RESORUFIN ETHYL ETHER · RESORUFIN ETHYL ESTER
Identifikatoren & physikalische Daten
| CAS No. | 5725-91-7 |
|---|---|
| Summenformel | C14H11NO3 |
| Durchschnittliche Molmasse | 241,24 g/mol |
| Monoisotopische Masse | 241,07389321 g/mol |
| SMILES | CCOc1ccc2nc3ccc(=O)cc-3oc2c1 |
| InChIKey | CRCWUBLTFGOMDD-UHFFFAOYSA-N |
| PubChem CID | 3294 |
| ChEMBL | CHEMBL1080002 |
| ChEBI | CHEBI:34480 |
| DTXSID | DTXSID90205860 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 47,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 450 |
| Schmelzpunkt | 223-225 °C (lit.) |
| Siedepunkt | 389.3±42.0 °C(Predicted) |
| Dichte | 1.29±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | DMF: soluble |
| Aggregatzustand | Brown solid. |
| pKa (Säurekonstante) | 1.43±0.20(Predicted) |
| Farbe | Dark Orange to Red |
| BRN | 225973 |
| InChIKey | ZOSYTBPPLWBBKM-UHFFFAOYSA-N |
| SMILES | CCOc1ccc2N=C3C=CC(=O)C=C3Oc2c1.Fc4c(F)c(F)c(OC(=O)CNC(=O)OCC5c6ccccc6-c7ccccc57)c(F)c4F |
Sicherheit & Vorschriften
| Regulatorische Informationen | 3H-Phenoxazin-3-one, 7-ethoxy-: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Resorufin ethyl ether is suitable for the study of dealkylating activity of cytochrome P450 isozymes 1A1 and 1A2, where arylalkyl and alkyl isothiocyanates, and their glutathione, cysteine, and A′-acetylcysteine conjugates are used as inhibitors. It is suitable to study the ethoxyresorufin-O-deethylase (EROD) activity of cytochrome P450 activity (CYP1A1).