10-Methoxycamptothecin
product/154918 · 10-METHOXYCAMPTOTHECIN · 10-MethoxycaMptothecine · Camptothecin Impurity 8 (10-Methoxycamptothecin) · 10 Methoxycamptothecin,Inhibitor,10Methoxycamptothecin,inhibit,10-Methoxycamptothecin · (4S)-4-Ethyl-4-hydroxy-9-methoxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione · (4S)-9-Methoxy-4α-ethyl-4β-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione · 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-methoxy-, (4S)-
Identifikatoren & physikalische Daten
| CAS No. | 19685-10-0 |
|---|---|
| Summenformel | C21H18N2O5 |
| Durchschnittliche Molmasse | 378,4 g/mol |
| Monoisotopische Masse | 378,12157168 g/mol |
| SMILES | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)ccc3nc2-1 |
| InChIKey | KLFJSYOEEYWQMR-NRFANRHFSA-N |
| PubChem CID | 97283 |
| ChEMBL | CHEMBL75854 |
| DTXSID | DTXSID60941445 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 89 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 790 |
| LogP (Verteilungskoeffizient) | 1.76 |
| Schmelzpunkt | 254-255℃ |
| Siedepunkt | 773.1±60.0 °C(Predicted) |
| Dichte | 1.50 |
| Lagerbedingungen | 4°C, protect from light |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| Aggregatzustand | Cryst. |
| pKa (Säurekonstante) | 11.21±0.20(Predicted) |
| Farbe | White to yellow |
| InChI | InChI=1S/C21H18N2O5/c1-3-21(26)15-8-17-18-12(6-11-7-13(27-2)4-5-16(11)22-18)9-23(17)19(24)14(15)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1 |
| InChIKey | KLFJSYOEEYWQMR-NRFANRHFSA-N |
| SMILES | N1C2C(=CC(OC)=CC=2)C=C2CN3C(C=12)=CC1[C@](CC)(O)C(=O)OCC=1C3=O |
Sicherheit & Vorschriften
| Alarmwort | Achtung |
|---|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H301 |
Anwendungen & Verwendung
Beschreibung
A minor constituent of Mappia foetida Miers. The alkaloid yields pale yellow crystals when purified from CHC13-MeOH. It is laevorotatory with [α]24D - 77.5° (c 1.0, pyridine). The structure has been established by spectroscopic methods.
Verwenden
10-Methoxycamptothecin is a Camptothecin (C175150) derivative used in the treatment of cancers. Used in the treatment of hyperproliferative diseases.