Account N-(6-(2-(4-((2-(6-Oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4-yl)isoindolin-5-yl)oxy)piperidin-1-yl)acetamido)hexyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
- Catalog No. :
- ACNAYA786
- CAS No. :
- 2379390-76-6
- Molecular Formula :
- C36H49F3N8O5S
- Molecular Weight :
- 762.90
IUPAC Name:N-(6-(2-(4-((2-(6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4-yl)isoindolin-5-yl)oxy)piperidin-1-yl)acetamido)hexyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
![N-(6-(2-(4-((2-(6-Oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4-yl)isoindolin-5-yl)oxy)piperidin-1-yl)acetamido)hexyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | N-(6-(2-(4-((2-(6-Oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4-yl)isoindolin-5-yl)oxy)piperidin-1-yl)acetamido)hexyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide |
|---|---|
| IUPAC Name | N-(6-(2-(4-((2-(6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4-yl)isoindolin-5-yl)oxy)piperidin-1-yl)acetamido)hexyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide |
| Molecular Formula | C36H49F3N8O5S |
| Molecular Weight | 762.90 |
| SMILES | C(F)(F)(F)C1=C(N2CC=3C(C2)=CC(OC4CCN(CC(NCCCCCCNC(CCCC[C@H]5[C@@]6([C@](CS5)(NC(=O)N6)[H])[H])=O)=O)CC4)=CC3)C=NNC1=O |
| InChI Key | JBOIALWTEFWUEK-GSZYCOFVSA-N |
| Synonym | 1H-Thieno[3,4-d ]imidazole-4-pentanamide,N-[6-[[2-[4-[[2-[1,6-dihydro-6-oxo-5-(trifluoromethyl)-4-pyridazinyl]-2,3-dihydro-1H-isoindol-5-yl]oxy]-1- piperidinyl]acetyl]amino]hexyl]hexahydro-2-oxo-,(3aS,4S ,6aR)-;PARP7-probe-1 |
| CAS No. | 2379390-76-6 |
Synthetic Route by SureRoute
2. ACNAYA786 Molecular Building Block Synthetic Route
N-(6-Aminohexyl)-2-(4-((2-(6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4-yl)isoindolin-5-yl)oxy)piperidin-1-yl)acetamide
5-(5-(Piperidin-4-yloxy)isoindolin-2-yl)-4-(trifluoromethyl)pyridazin-3(2H)-one
tert-Butyl 4-((2-(6-oxo-5-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1,6-dihydropyridazin-4-yl)isoindolin-5-yl)oxy)piperidine-1-carboxylate