Produkty 3034200-49-9
CAS 3034200-49-9 to numer rejestracyjny substancji PROTAC BcI-2/BcI-xI Degrader-1. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.
(4aS)-3-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-N-[4-[[(2R)-4-[4-[7-[[(2S)-1-[(2S,4R)-2-(4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazol-8-ylmethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-8-carboxamide (CAS 3034200-49-9) to związek chemiczny o wzorze sumarycznym C78H94ClF3N10O12S4 i masie molowej 1584.4 g/mol. Nazwa systematyczna IUPAC: (4aS)-3-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-N-[4-[[(2R)-4-[4-[7-[[(2S)-1-[(2S,4R)-2-(4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazol-8-ylmethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-8-carboxamide. InChIKey: HUTJHTKYOWKSDW-ZDAWVCBKSA-N.
| Wzór sumaryczny | C78H94ClF3N10O12S4 |
|---|---|
| Masa molowa | 1584.4 g/mol |
| Nazwa IUPAC | (4aS)-3-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-N-[4-[[(2R)-4-[4-[7-[[(2S)-1-[(2S,4R)-2-(4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazol-8-ylmethylcarbamoyl)-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-8-carboxamide |
| InChIKey | HUTJHTKYOWKSDW-ZDAWVCBKSA-N |
| SMILES | CC1(CCC(=C(C1)CN2CCN3[C@@H](C2)COC4=C3C=CC(=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)N[C@H](CCN6CCN(CC6)C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@@H](C[C@H]7C(=O)NCC8=CC9=C(C=C8)C1=C(CCO9)N=CS1)O)C(C)(C)C)CSC1=CC=CC=C1)S(=O)(=O)C(F)(F)F)C1=CC=C(C=C1)Cl)C |
Dane obliczone przez PubChem (NCBI)
Synonimy:
PROTAC BcI-2/BcI-xI Degrader-1, orb2564493