HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Draflazine
Draflazine · 1-Piperazineacetamide, 2-(aminocarbonyl)-N-(4-amino-2,6-dichlorophenyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-
Identifikatoren & physikalische Daten
| CAS No. | 120770-34-5 |
|---|---|
| Summenformel | C30H33Cl2F2N5O2 |
| Durchschnittliche Molmasse | 604,5 g/mol |
| Monoisotopische Masse | 603,197937 g/mol |
| SMILES | NC(=O)C1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1c(Cl)cc(N)cc1Cl |
| InChIKey | IWMYIWLIESDFRZ-UHFFFAOYSA-N |
| PubChem CID | 60849 |
| ChEMBL | CHEMBL1628717 |
| EC No. | 802-344-4 |
| DTXSID | DTXSID60869655 |
Chemische & physikalische Eigenschaften
| XLogP | 5,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 105 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 41 |
| Formalladung | 0 |
| Komplexität | 810 |
| Schmelzpunkt | 213.1 °C |
| Siedepunkt | 755.9±60.0 °C(Predicted) |
| Dichte | 1.338±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | Soluble in DMSO |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 12.37±0.70(Predicted) |
| Farbe | White to off-white |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
Anwendungen & Verwendung
Verwenden
Draflazine can be used to treat SLC29A2 nuclear-expressing cancer.