Account BRD4-IN-2
- Catalog No. :
- ACZKXF658
- CAS No. :
- 2679925-55-2
- Molecular Formula :
- C43H48N8O11
- Molecular Weight :
- 852.90
IUPAC Name:(4S)-1-(4-(4-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-2-oxoethoxy)ethoxy)acetyl)piperazin-1-yl)phenyl)-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-3H-benzo[d][1,2]diazepine-3-carboxamide
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Product Information
| Product Name | BRD4-IN-2 |
|---|---|
| IUPAC Name | (4S)-1-(4-(4-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-2-oxoethoxy)ethoxy)acetyl)piperazin-1-yl)phenyl)-7,8-dimethoxy-N,4-dimethyl-4,5-dihydro-3H-benzo[d][1,2]diazepine-3-carboxamide |
| Molecular Formula | C43H48N8O11 |
| Molecular Weight | 852.90 |
| SMILES | O=C(N1N=C(C2=CC=C(N3CCN(C(COCCOCC(NC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)C=C2)C7=CC(OC)=C(OC)C=C7C[C@@H]1C)NC |
| InChI Key | QMWODUXCOTUXJT-HKIGIVDHSA-N |
| Synonym | BRD4-IN-2;3H-2,3-Benzodiazepine-3-carboxamide, 1-[4-[4-[2-[2-[2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]acetyl]-1-piperazinyl]phenyl]-4,5-dihydro-7,8-dimethoxy-N,4-dimethyl-, (4S)- |
| CAS No. | 2679925-55-2 |
Synthetic Route by SureRoute
2. ACZKXF658 Molecular Building Block Synthetic Route
N-(2-(2-(2-(4-(4-((5-Chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-5-isopropoxy-2-methylphenyl)piperidin-1-yl)ethoxy)ethoxy)ethyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamide
4-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
N-(2-(2-(2-(4-(4-((5-Chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-3-methoxyphenyl)piperazin-1-yl)ethoxy)ethoxy)ethyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamide