Account Unii-XD30VB6drt
- Catalog No. :
- ACMGEA859
- CAS No. :
- 1351456-78-4
- Molecular Formula :
- C46H53ClN7O11PS
- Molecular Weight :
- 978.46
IUPAC Name:(5-(5-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-2-(((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)carbamoyl)phenoxy)-7H-pyrrolo[2,3-b]pyridin-7-yl)methyl dihydrogen phosphate
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Product Information
| Product Name | Unii-XD30VB6drt |
|---|---|
| IUPAC Name | (5-(5-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-2-(((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)carbamoyl)phenoxy)-7H-pyrrolo[2,3-b]pyridin-7-yl)methyl dihydrogen phosphate |
| Molecular Formula | C46H53ClN7O11PS |
| Molecular Weight | 978.46 |
| SMILES | O=P(O)(OCN1C=C(OC2=CC(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CC(C)(C)CC4)CC3)=CC=C2C(NS(=O)(C6=CC=C(NCC7CCOCC7)C([N+]([O-])=O)=C6)=O)=O)C=C8C1=NC=C8)O |
| InChI Key | CLQLTQZFOGFNCT-UHFFFAOYSA-N |
| Synonym | Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-[[7-[(phosphonooxy)methyl]-7H-pyrrolo[2,3-b]pyridin-5-yl]oxy]-;ABBV-167 |
| CAS No. | 1351456-78-4 |
Synthetic Route by SureRoute
2. ACMGEA859 Molecular Building Block Synthetic Route
2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide
BCL2-IN-1
4-(3-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)carbamoyl)phenyl)-1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine 1-oxide