HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(-)-Gusperimus
(S)-15-Deoxyspergualin · (-)-15-Deoxyspergualin · N-[(S)-1-Hydroxy-2-oxo-2-[[4-[(3-aminopropyl)amino]butyl]amino]ethyl]-7-guanidinoheptanamide · 7-Guanidino-N-[(S)-2-[[4-[(3-aminopropyl)amino]butyl]amino]-1-hydroxy-2-oxoethyl]heptanamide · N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide · HeptanaMide, 7-[(aMinoiMinoMethyl)aMino]-N-[(1S)-2-[[4-[(3-aMinopropyl)aMino]butyl]aMino]-1-hydroxy-2-oxoethyl]-
Identifikatoren & physikalische Daten
| CAS No. | 89149-10-0 |
|---|---|
| Summenformel | C17H37N7O3 |
| Durchschnittliche Molmasse | 387,5 g/mol |
| Monoisotopische Masse | 387,29578807 g/mol |
| SMILES | NCCCNCCCCNC(=O)[C@H](O)NC(=O)CCCCCCN=C(N)N |
| InChIKey | IDINUJSAMVOPCM-INIZCTEOSA-N |
| PubChem CID | 91272 |
| ChEMBL | CHEMBL1172736 |
| DTXSID | DTXSID70237548 |
Chemische & physikalische Eigenschaften
| XLogP | -2 |
|---|---|
| Polarare Oberfläche (TPSA) | 181 |
| H-Brücken-Donoren | 7 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 17 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 429 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Löslichkeit | H2O > 100 (mg/mL)0.1N NaOH > 100 (mg/mL)0.1N HCl > 100 (mg/mL)95% EtOH > 100 (mg/mL)MeOH > 100 (mg/mL)DMSO > 100 (mg/mL) |
| Stability/Shelf Life | Bulk: Samples stored at 25 °C for 3 months show 5-8% decomposition (HPLC). Solution: As a 2 mg/mL solution in water at 25 °C, 15- deoxyspergualin is stable for at least 28 hrs under ordinary laboratory conditions (HPLC). |