Account sulfo-DGN462 sodium
- Catalog No. :
- ACEUTO527
- CAS No. :
- 1401203-09-5
- Molecular Formula :
- C53H60N5NaO12S2
- Molecular Weight :
- 1046.21
IUPAC Name:sodium (12aS)-9-((3-((2-mercapto-2-methylpropyl)(2-(2-(2-methoxyethoxy)ethoxy)ethyl)amino)-5-((((S)-8-methoxy-6-oxo-11,12,12a,13-tetrahydro-6H-benzo[5,6][1,4]diazepino[1,2-a]indol-9-yl)oxy)methyl)benzyl)oxy)-8-methoxy-6-oxo-11,12,12a,13-tetrahydro-6H-benzo[5,6][1,4]diazepino[1,2-a]indole-12-sulfonate
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Product Information
| Product Name | sulfo-DGN462 sodium |
|---|---|
| IUPAC Name | sodium (12aS)-9-((3-((2-mercapto-2-methylpropyl)(2-(2-(2-methoxyethoxy)ethoxy)ethyl)amino)-5-((((S)-8-methoxy-6-oxo-11,12,12a,13-tetrahydro-6H-benzo[5,6][1,4]diazepino[1,2-a]indol-9-yl)oxy)methyl)benzyl)oxy)-8-methoxy-6-oxo-11,12,12a,13-tetrahydro-6H-benzo[5,6][1,4]diazepino[1,2-a]indole-12-sulfonate |
| Molecular Formula | C53H60N5NaO12S2 |
| Molecular Weight | 1046.21 |
| SMILES | COCCOCCOCCN(CC(C)(C)S)C1=CC(COC2=C(OC)C=C3C(=O)N4C5=C(C=CC=C5)C[C@H]4C(S(=O)(=O)[O-])NC3=C2)=CC(COC2=CC3=C(C=C2OC)C(=O)N2C4=C(C=CC=C4)C[C@H]2CN3)=C1.[Na+] |
| InChI Key | RNHTWDMUNIEDKX-XSTPADGUSA-M |
| Synonym | sulfo-DGN462 sodium;6H-Indolo[2,1-c][1,4]benzodiazepine-12-sulfonic acid, 11,12,12a,13-tetrahydro-9-[[3-[(2-mercapto-2-methylpropyl)[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]-5-[[[(12aS)-11,12,12a,13-tetrahydro-8-methoxy-6-oxo-6H-indolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]methyl]phenyl]methoxy]-8-methoxy-6-oxo-, sodium salt (1:1), (12aS)- |
| CAS No. | 1401203-09-5 |
Synthetic Route by SureRoute
2. ACEUTO527 Molecular Building Block Synthetic Route
DGN462
Sulfo-SPDB-DGN462
2,5-dioxopyrrolidin-1-yl 6-(((S)-1-(((S)-1-((3-((((S)-8-methoxy-6-oxo-11,12,12a,13-tetrahydro-6H-benzo[5,6][1,4]diazepino[1,2-a]indol-9-yl)oxy)methyl)-5-((((S)-8-methoxy-6-oxo-12a,13-dihydro-6H-benzo[5,6][1,4]diazepino[1,2-a]indol-9-yl)oxy)methyl)phenyl)amino)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-6-oxohexanoate