Account (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
- Catalog No. :
- ACLEWK178
- CAS No. :
- 1222490-34-7
- Molecular Formula :
- C42H39N5O7
- Molecular Weight :
- 725.80
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD27952508 |
| Molecular Formula | C42H39N5O7 |
| Molecular Weight | 725.80 |
| SMILES | O=C1C2=CC(OC)=C(OCCCOC3=C(OC)C=C4C(N=C[C@@](CC(C5=CC=C(OC)C=C5)=C6)([H])N6C4=O)=C3)C=C2N=C[C@@]7([H])N1C=C(C8=CC=C(N)C=C8)C7 |
| InChI Key | OMRPLUKQNWNZAV-CONSDPRKSA-N |
| Synonym | SGD 1882;PBD dimer;5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 2-(4-aminophenyl)-8-[3-[[(11aS)-5,11a-dihydro-7-methoxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]propoxy]-1,11a-dihydro-7-methoxy-, (11aS)-;SGD1882,SGD 1882;(6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methoxyphenyl)-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8-(4-aminophenyl)-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;(7S)-12-(3-{[(7S)-5-(4-aminophenyl)-13-methoxy-2-oxo-3,9-diazatricyclo[8.4.0.03,?]tetradeca-1(14),4,8,10,12-pentaen-12-yl]oxy}propoxy)-13-methoxy-5-(4-methoxyphenyl)-3,9-diazatricyclo[8.4.0.03,?]tetradeca-1(10),4,8,11,13-pentaen-2-one |
| CAS No. | 1222490-34-7 |
| PubChem CID | 45257190 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACLEWK178 Molecular Building Block Synthetic Route
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
Anticancer agent 81
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