Account Afeletecan free base
- Catalog No. :
- ACJZSB877
- CAS No. :
- 215604-75-4
- Molecular Formula :
- C45H49N7O11S
- Molecular Weight :
- 895.99
IUPAC Name:(S)-4-ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ((4-(((2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)phenyl)carbamothioyl)-L-histidyl-L-valinate
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Product Information
| Product Name | Afeletecan free base |
|---|---|
| IUPAC Name | (S)-4-ethyl-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ((4-(((2R,3S,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)phenyl)carbamothioyl)-L-histidyl-L-valinate |
| Molecular Formula | C45H49N7O11S |
| Molecular Weight | 895.99 |
| SMILES | CC(C)[C@@H](C(O[C@](C1=C(CO2)C(N3CC4=CC5=CC=CC=C5N=C4C3=C1)=O)(CC)C2=O)=O)NC([C@H](CC6=CNC=N6)NC(NC7=CC=C(O[C@@H]8[C@@H](O)[C@H](OC)[C@H](O)[C@H](C)O8)C=C7)=S)=O |
| InChI Key | SLOJCSGNHWIKIG-JNYZSSQASA-N |
| Synonym | BAY 56-3722;Afeletecan free base;L-Valine, N-[[[4-[(6-deoxy-3-O-methyl-β-L-galactopyranosyl)oxy]phenyl]amino]thioxomethyl]-L-histidyl-, (4S)-4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl ester |
| CAS No. | 215604-75-4 |
Synthetic Route by SureRoute
2. ACJZSB877 Molecular Building Block Synthetic Route
Afeletecan HCl
MAC glucuronide α-hydroxy lactone-linked SN-38
S-(1-((4-(((1-((S)-37-amino-34-((4-((((((S)-4,11-diethyl-9-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl)oxy)carbonyl)oxy)methyl)phenyl)carbamoyl)-28,32-dioxo-3,6,9,12,15,18,21,24,30-nonaoxa-27,33-diazaheptatriacontyl)-1H-1,2,3-triazol-4-yl)methyl)carbamoyl)cyclohexyl)methyl)-2,5-dioxopyrrolidin-3-yl)-L-cysteine