Products 2429877-78-9
CAS 2429877-78-9 is the registry number for PROTAC STAT3 degrader-2, 99.83%. Offered by: MedChemExpress. Available pack sizes: Get quote.
[[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid (CAS 2429877-78-9) is a chemical compound with the molecular formula C59H60F2N9O13P and a molecular weight of 1172.1 g/mol. IUPAC name: [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid. InChIKey: ZMCYXBJXBBCEIP-DYGUMZBISA-N.
| Molecular formula | C59H60F2N9O13P |
|---|---|
| Molecular weight | 1172.1 g/mol |
| IUPAC name | [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid |
| InChIKey | ZMCYXBJXBBCEIP-DYGUMZBISA-N |
| SMILES | C1C[C@H](N2[C@H]1CCN(C[C@@H](C2=O)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)CCCCCC#CC5=C6C(=CC=C5)C(=O)N(C6=O)C7CCC(=O)NC7=O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C8=CC=CC=C8)C9=CC=CC=C9 |
Computed by PubChem (NCBI)
Synonyms:
PROTAC STAT3 degrader-2, orb1982325