Account PARP1-IN-14
- Catalog No. :
- ACDYKN965
- CAS No. :
- 2098639-70-2
- Molecular Formula :
- C28H24FN7O3
- Molecular Weight :
- 525.54
IUPAC Name:4-(4-fluoro-3-(3-(6-methoxypyridin-2-yl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)benzyl)phthalazin-1(2H)-one
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Product Information
| Product Name | PARP1-IN-14 |
|---|---|
| IUPAC Name | 4-(4-fluoro-3-(3-(6-methoxypyridin-2-yl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)benzyl)phthalazin-1(2H)-one |
| Molecular Formula | C28H24FN7O3 |
| Molecular Weight | 525.54 |
| SMILES | O=C1NN=C(CC2=CC=C(F)C(C(N3CC4=NN=C(C5=NC(OC)=CC=C5)N4C(C)C3)=O)=C2)C6=C1C=CC=C6 |
| InChI Key | KFMRDHKVQWDRIC-UHFFFAOYSA-N |
| Synonym | PARP1-IN-14;1(2H)-Phthalazinone, 4-[[3-[[5,6-dihydro-3-(6-methoxy-2-pyridinyl)-5-methyl-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl]-4-fluorophenyl]methyl]- |
| CAS No. | 2098639-70-2 |
Synthetic Route by SureRoute
2. ACDYKN965 Molecular Building Block Synthetic Route
YCH1899
Simmiparib
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
