Account PROTAC Bcl-xL degrader-3
- Catalog No. :
- ACQYGN086
- CAS No. :
- 2471970-60-0
- Molecular Formula :
- C82H105ClF3N11O11S4
- Molecular Weight :
- 1641.52
IUPAC Name:(2S,4R)-1-((S)-2-(8-(4-(((R)-4'-chloro-4-methyl-6-((4-(4-(((4-(((R)-4-morpholino-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)carbamoyl)phenyl)piperazin-1-yl)methyl)-2,3,4,5-tetrahydro-[1,1'-biphenyl]-4-yl)methyl)piperazin-1-yl)-8-oxooctanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
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Product Information
| Product Name | PROTAC Bcl-xL degrader-3 |
|---|---|
| IUPAC Name | (2S,4R)-1-((S)-2-(8-(4-(((R)-4'-chloro-4-methyl-6-((4-(4-(((4-(((R)-4-morpholino-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)carbamoyl)phenyl)piperazin-1-yl)methyl)-2,3,4,5-tetrahydro-[1,1'-biphenyl]-4-yl)methyl)piperazin-1-yl)-8-oxooctanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide |
| Molecular Formula | C82H105ClF3N11O11S4 |
| Molecular Weight | 1641.52 |
| SMILES | O=C([C@H]1N(C([C@@H](NC(CCCCCCC(N2CCN(C[C@]3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C |
| InChI Key | KQEMZZJSHJCPSI-RYFXIQSLSA-N |
| Synonym | L-Prolinamide, N-[8-[4-[[(1R)-4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[[[4-[[(1R)-3-(4-morpholinyl)-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]phenyl]sulfonyl]amino]carbonyl]phenyl]-1-piperazinyl]methyl]-3-cyclohexen-1-yl]methyl]-1-piperazinyl]-1,8-dioxooctyl]-3-methyl-L-valyl-4-hydroxy-N-[(1S)-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (4R)-;PROTAC Bcl-xL degrader-3 |
| CAS No. | 2471970-60-0 |
Synthetic Route by SureRoute
2. ACQYGN086 Molecular Building Block Synthetic Route
PZ703b
(2S,4R)-1-((S)-2-(7-(4-((R)-3-((4-(N-(4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoyl)sulfamoyl)-2-((trifluoromethyl)sulfonyl)phenyl)amino)-4-(phenylthio)butyl)piperazin-1-yl)-7-oxoheptanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
4-(4-((4'-Chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-(((15R)-1-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-12-methyl-16-(phenylthio)-3,6,9-trioxa-12-azahexadecan-15-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide
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