Account BCL2-IN-1
- Catalog No. :
- ACTVWU873
- CAS No. :
- 1257044-75-9
- Molecular Formula :
- C47H54ClN7O7S
- Molecular Weight :
- 896.51
IUPAC Name: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-((4-((((1r,4r)-4-methoxycyclohexyl)methyl)amino)-3-nitrophenyl)sulfonyl)benzamide
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Product Information
| Product Name | BCL2-IN-1 |
|---|---|
| IUPAC Name | 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-((4-((((1r,4r)-4-methoxycyclohexyl)methyl)amino)-3-nitrophenyl)sulfonyl)benzamide |
| Molecular Formula | C47H54ClN7O7S |
| Molecular Weight | 896.51 |
| SMILES | CO[C@H]1CC[C@H](CNC2=CC=C(S(=O)(=O)NC(=O)C3=CC=C(N4CCN(CC5=C(C6=CC=C(Cl)C=C6)CC(C)(C)CC5)CC4)C=C3OC3=CN=C4NC=CC4=C3)C=C2[N+](=O)[O-])CC1 |
| InChI Key | CSBKUBOVPUXFLO-MAVVKCOWSA-N |
| Synonym | BCL2-IN-1;Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(trans-4-methoxycyclohexyl)methyl]amino]-3-nitrophenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-;A-1211212 |
| CAS No. | 1257044-75-9 |
Synthetic Route by SureRoute
2. ACTVWU873 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
2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((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
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