Account 4-((S)-2-((S)-2-Amino-3-methylbutanamido)propanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate
- Catalog No. :
- ACRNPV046
- CAS No. :
- 2845164-91-0
- Molecular Formula :
- C40H43FN6O8
- Molecular Weight :
- 754.82
IUPAC Name:4-((S)-2-((S)-2-amino-3-methylbutanamido)propanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate
![4-((S)-2-((S)-2-Amino-3-methylbutanamido)propanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 4-((S)-2-((S)-2-Amino-3-methylbutanamido)propanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate |
|---|---|
| IUPAC Name | 4-((S)-2-((S)-2-amino-3-methylbutanamido)propanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate |
| Molecular Formula | C40H43FN6O8 |
| Molecular Weight | 754.82 |
| SMILES | O=C(OCC1=CC=C(NC([C@@H](NC([C@@H](N)C(C)C)=O)C)=O)C=C1)N[C@H]2CCC3=C4C2=C(CN5C(C(COC([C@@]6(CC)O)=O)=C6C=C57)=O)C7=NC4=CC(F)=C3C |
| InChI Key | ZACAMCPLQSLRJF-PICQSYHMSA-N |
| Synonym | Val-Ala-PABC-Exatecan;4-((S)-2-((S)-2-Amino-3-methylbutanamido)propanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate |
| CAS No. | 2845164-91-0 |
Safety Data
- Pictogram
- Signal Word
- Gefahr
- Hazard Statement(s)
- H301-H311-H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACRNPV046 Molecular Building Block Synthetic Route
Val-Ala-PABC-Exatecan trifluoroacetate
4-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate
4-((S)-2-((S)-2-(6-aminohexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate