HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ametantrone
HAQ · CS-1411 · NSC 290813 · NSC 196473 · NSC-287513 · Ametantrone · Ametantrone, >=98% · ametantrone diacetate.
Identifikatoren & physikalische Daten
| CAS No. | 64862-96-0 |
|---|---|
| Summenformel | C22H28N4O4 |
| Durchschnittliche Molmasse | 412,5 g/mol |
| Monoisotopische Masse | 412,21105539 g/mol |
| SMILES | O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 |
| InChIKey | FFGSXKJJVBXWCY-UHFFFAOYSA-N |
| PubChem CID | 2134 |
| ChEMBL | CHEMBL49442 |
| DTXSID | DTXSID60215153 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 123 |
| H-Brücken-Donoren | 6 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 513 |
| Schmelzpunkt | 156-158 °C |
| Siedepunkt | 531.92°C (rough estimate) |
| Dichte | 1.2344 (rough estimate) |
| Brechungsindex | 1.6500 (estimate) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | DMSO: soluble |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | 14.47±0.10(Predicted) |
Sicherheit & Vorschriften
| Alarmwort | Warnung |
|---|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Beschreibung
Ametantrone is an inhibitor of topoisomerase II. It induces double-strand breaks in SV40 DNA in the presence, but not absence, of topoisomerase II and induces single-strand breaks in DNA in NCI H187 cells. It also induces interstrand DNA cross-links in HeLa S3 cells at a minimum concentration of 4.1 μM. Ametantrone is cytotoxic to NCI H187 and HL-60 cells (IC50s = 112 and 0.44 μM, respectively). It inhibits tumor growth in a Ridgway osteogenic sarcoma mouse model when administered at a dose of 5 mg/kg, however, it increases tumor growth in mouse models of mammary adenocarcinoma and colon adenocarcinoma 11a.