Account IRAK4-IN-21
- Catalog No. :
- ACAUNX716
- CAS No. :
- 2170694-04-7
- Molecular Formula :
- C28H28FN7O2
- Molecular Weight :
- 513.58
IUPAC Name:(1S,2S,3R,4R)-3-((5-(5-fluoropyridin-3-yl)-2-((3-(pyrrolidine-1-carbonyl)phenyl)amino)pyrimidin-4-yl)amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide
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Product Information
| Product Name | IRAK4-IN-21 |
|---|---|
| IUPAC Name | (1S,2S,3R,4R)-3-((5-(5-fluoropyridin-3-yl)-2-((3-(pyrrolidine-1-carbonyl)phenyl)amino)pyrimidin-4-yl)amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide |
| Molecular Formula | C28H28FN7O2 |
| Molecular Weight | 513.58 |
| SMILES | O=C([C@H]1[C@](C2)([H])C=C[C@]2([H])[C@H]1NC3=NC(NC4=CC=CC(C(N5CCCC5)=O)=C4)=NC=C3C6=CC(F)=CN=C6)N |
| InChI Key | KYNJAMYDYPTYDZ-GCRLEYHISA-N |
| Synonym | Bicyclo[2.2.1]hept-5-ene-2-carboxamide, 3-[[5-(5-fluoro-3-pyridinyl)-2-[[3-(1-pyrrolidinylcarbonyl)phenyl]amino]-4-pyrimidinyl]amino]-, (1S,2S,3R,4R)-;IRAK4-IN-21 |
| CAS No. | 2170694-04-7 |
Synthetic Route by SureRoute
2. ACAUNX716 Molecular Building Block Synthetic Route
Irak4-in-22
(1S,2S,3R,4R)-3-((5-Fluoro-2-((3-methyl-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide
7-(3,5-Difluoropyridin-2-yl)-N-((S)-13-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidine-1-carbonyl)-14,14-dimethyl-11-oxo-3,6,9-trioxa-12-azapentadecyl)-2-methyl-10-((methylsulfonyl)methyl)-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxamide