Account PROTAC CDK9 degrader-4
- Catalog No. :
- ACPOHQ105
- CAS No. :
- 2411021-01-5
- Molecular Formula :
- C43H56N10O5
- Molecular Weight :
- 792.99
IUPAC Name:4-(5-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)pentyl)-N-(4-(((5-(((S)-1-hydroxybutan-2-yl)amino)-3-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino)methyl)phenyl)piperazine-1-carboxamide
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Product Information
| Product Name | PROTAC CDK9 degrader-4 |
|---|---|
| IUPAC Name | 4-(5-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)pentyl)-N-(4-(((5-(((S)-1-hydroxybutan-2-yl)amino)-3-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino)methyl)phenyl)piperazine-1-carboxamide |
| MDL No. | MFCD35326451 |
| Molecular Formula | C43H56N10O5 |
| Molecular Weight | 792.99 |
| SMILES | O=C(N1CCN(CCCCCC2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)CC1)NC5=CC=C(CNC6=CC(N[C@@H](CC)CO)=NC7=C(C(C)C)C=NN67)C=C5 |
| InChI Key | YAEBZMQWNHWNAG-BRKUKBBPSA-N |
| Synonym | 1-Piperazinecarboxamide, 4-[5-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-4-yl]pentyl]-N-[4-[[[5-[[(1S)-1-(hydroxymethyl)propyl]amino]-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-;PROTAC CDK9 degrader-4;4-{5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]pentyl}-N-(4-{[(5-{[(2S)-1-hydroxybutan-2-yl]amino}-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl}phenyl)piperazine-1-carboxamide |
| CAS No. | 2411021-01-5 |
Synthetic Route by SureRoute
2. ACPOHQ105 Molecular Building Block Synthetic Route
1',4-Bis(t-butyl)-1,2,3'-tris(diphenylphosphino)ferrocene
4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
ACDNEY033