Mitomycin A
Mitomycin EP Impurity B · Mitomycin EP Impurity B (Mitomycin A) · Mitomycin Impurity 2(Mitomycin EP Impurity B)(Mitomycin A） · [(1aS,8S,8aR,8bS)-6,8a-Dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2,3,4]pyrrolo[1,2-a]indol-8-yl]methyl Carbamate · [(1aS,8S,8aR,8bS)-6,8a-Dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2,’3’:3,4]pyrrolo[1,2-a]indol-8-yl]methyl Carbamate · (1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione · ((1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2,3:3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate(WXG00529) · Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methyl-, (1aS,8S,8aR,8bS)-
Identifikatoren & physikalische Daten
| CAS No. | 4055-39-4 |
|---|---|
| Summenformel | C16H19N3O6 |
| Durchschnittliche Molmasse | 349,34 g/mol |
| Monoisotopische Masse | 349,12738533 g/mol |
| SMILES | COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21 |
| InChIKey | HYFMSAFINFJTFH-NGSRAFSJSA-N |
| PubChem CID | 19972 |
| ChEMBL | CHEMBL298359 |
| ChEBI | CHEBI:85412 |
| DTXSID | DTXSID201318131 |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 130 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 772 |
| Color/Form | RED-VIOLET CRYSTALS FROM ACETONE + CARBON TETRACHLORIDE |
| Löslichkeit | Freely soluble in organic solventsSOL IN WATER, BENZENE, TOLUENE, TRICHLOROETHYLENE, NITROBENZENE & MANY ORG SOLVENTSPRACTICALLY INSOL IN XYLENE, CARBON TETRACHLORIDE, CARBON DISULFIDE, PETROLEUM ETHER, LIBROIN, CYCLOHEXANEChloroform: Slightly solubleMethanol: Slightly soluble |
| Physical Description | Red-violet solid[Merck Index] |
| Other Experimental Properties | DECOMP AT 159-161 °C |
| Schmelzpunkt | 159-1610C (dec) |
| Siedepunkt | 483.53°C (rough estimate) |
| Dichte | 1.2205 (rough estimate) |
| Brechungsindex | 1.6500 (estimate) |
| Lagerbedingungen | -20°C Freezer |
| Aggregatzustand | A solid |
| pKa (Säurekonstante) | 13.27±0.50(Predicted) |
| Farbe | Purple to purplish red |
Sicherheit & Vorschriften
| Gefahrenübersicht | Emergency treatment: Mitomycin C[HSDB] See Mitomycin C. |
|---|---|
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Toxizität | LD50 i.v. in mice: 2 mg/kg (Hata, 1956Kinoshita) |
| Gefahrstoffdaten | 4055-39-4(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
The 6-methoxy analog of Mitomycin C. An antitumor antibiotic