Account Anticancer agent 81
- Catalog No. :
- ACQQLN762
- CAS No. :
- 2820286-56-2
- Molecular Formula :
- C46H46N6O5
- Molecular Weight :
- 762.91
IUPAC Name:(S)-2-(2-(4-(5-((2-(4-aminophenyl)-7-methoxy-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)piperazin-1-yl)ethyl)-1H-dibenzo[de,h]isoquinoline-1,3(2H)-dione
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Product Information
| Product Name | Anticancer agent 81 |
|---|---|
| IUPAC Name | (S)-2-(2-(4-(5-((2-(4-aminophenyl)-7-methoxy-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)piperazin-1-yl)ethyl)-1H-dibenzo[de,h]isoquinoline-1,3(2H)-dione |
| Molecular Formula | C46H46N6O5 |
| Molecular Weight | 762.91 |
| SMILES | O=C(C1=C2C(C=CC=C23)=CC4=CC=CC=C41)N(CCN5CCN(CCCCCOC6=C(OC)C=C(C(N(C=C(C7=CC=C(N)C=C7)C8)[C@]8([H])C=N9)=O)C9=C6)CC5)C3=O |
| InChI Key | OQPINPWCKSKRPT-DHUJRADRSA-N |
| Synonym | Anticancer agent 81;1H-Dibenz[de,h]isoquinoline-1,3(2H)-dione, 2-[2-[4-[5-[[(11aS)-2-(4-aminophenyl)-5,11a-dihydro-7-methoxy-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]-1-piperazinyl]ethyl]- |
| CAS No. | 2820286-56-2 |
Synthetic Route by SureRoute
2. ACQQLN762 Molecular Building Block Synthetic Route
(S)-2-(4-Aminophenyl)-7-methoxy-8-(3-(((S)-7-methoxy-2-(4-methoxyphenyl)-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)propoxy)-1,11a-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one
6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(4-((S)-7-methoxy-8-(3-(((S)-7-methoxy-2-(4-methoxyphenyl)-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)propoxy)-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl)hexan
6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-((S)-1-(((S)-1-((4-((S)-7-methoxy-8-(3-(((S)-7-methoxy-2-(4-methoxyphenyl)-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)propoxy)-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)hexanamide