Account SI-109
- Catalog No. :
- ACAXTC404
- CAS No. :
- 2429877-30-3
- Molecular Formula :
- C40H44F2N7O9P
- Molecular Weight :
- 835.80
IUPAC Name:((2-(((5S,8S,10aR)-3-acetyl-8-(((S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl)carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl)carbamoyl)-1H-indol-5-yl)difluoromethyl)phosphonic acid
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Product Information
| Product Name | SI-109 |
|---|---|
| IUPAC Name | ((2-(((5S,8S,10aR)-3-acetyl-8-(((S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl)carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl)carbamoyl)-1H-indol-5-yl)difluoromethyl)phosphonic acid |
| Molecular Formula | C40H44F2N7O9P |
| Molecular Weight | 835.80 |
| SMILES | C(N[C@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)CCC(N)=O)(=O)[C@H]3N4[C@](CC3)(CCN(C(C)=O)C[C@H](NC(=O)C5=CC=6C(N5)=CC=C(C(P(=O)(O)O)(F)F)C6)C4=O)[H] |
| InChI Key | HBICZHLVBCLHSV-VUCLUUCHSA-N |
| Synonym | SI-109;((2-(((5S,8S,10aR)-3-acetyl-8-(((S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl)carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl)carbamoyl)-1H-indol-5-yl)difluoromethyl)phosphonic acid;((2-(((5S,8S,10aR)-3-acetyl-8-(((S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl)carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl)carbamoyl)-1H-indol-5-yl)difluoromethyl)phosphonic acid - [AC80756] |
| CAS No. | 2429877-30-3 |
Synthetic Route by SureRoute
2. ACAXTC404 Molecular Building Block Synthetic Route
((2-(((5S,8S,10aR)-8-(((S)-5-Amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl)carbamoyl)-3-(8-(2-(2,6-dioxopiperidin-3-yl)-1-oxoiSoindolin-4-yl)oct-7-ynoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl)carbamoyl)-1H-indol-5-yl)difluoromethyl)phosphonic ac
PROTAC STAT3 degrader-2
STAT3 degrader-2