Account (2R,4S)-1-((R)-2-(9-(4-(4-((3-((3-Amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl)thio)-2-chlorophenyl)amino)-4-oxobutanoyl)piperazin-1-yl)nonanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((R)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
- Catalog No. :
- ACZOOA548
- CAS No. :
- 2740582-16-3
- Molecular Formula :
- C56H79ClN12O6S2
- Molecular Weight :
- 1115.91
IUPAC Name:(2R,4S)-1-((R)-2-(9-(4-(4-((3-((3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl)thio)-2-chlorophenyl)amino)-4-oxobutanoyl)piperazin-1-yl)nonanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((R)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
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Product Information
| Product Name | (2R,4S)-1-((R)-2-(9-(4-(4-((3-((3-Amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl)thio)-2-chlorophenyl)amino)-4-oxobutanoyl)piperazin-1-yl)nonanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((R)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide |
|---|---|
| IUPAC Name | (2R,4S)-1-((R)-2-(9-(4-(4-((3-((3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl)thio)-2-chlorophenyl)amino)-4-oxobutanoyl)piperazin-1-yl)nonanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((R)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide |
| Molecular Formula | C56H79ClN12O6S2 |
| Molecular Weight | 1115.91 |
| SMILES | O=C([C@@H]1N(C([C@H](NC(CCCCCCCCN2CCN(C(CCC(NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)=O)=O)CC2)=O)C(C)(C)C)=O)C[C@@H](O)C1)N[C@@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C |
| InChI Key | XJSPAQRZSJUBLB-ISSNAGQGSA-N |
| Synonym | (2R,4S)-1-[(2R)-2-[9-(4-{3-[(3-{[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-2-chlorophenyl)carbamoyl]propanoyl}piperazin-1-yl)nonanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2R,4S)-1-[(2R)-2-[9-[4-[4-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chloroanilino]-4-oxobutanoyl]piperazin-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;SHP2 protein degrader-2 |
| CAS No. | 2740582-16-3 |
Synthetic Route by SureRoute
2. ACZOOA548 Molecular Building Block Synthetic Route
(2S,4R)-1-((S)-2-(9-(4-(4-((3-((3-Amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl)thio)-2-chlorophenyl)amino)-4-oxobutanoyl)piperazin-1-yl)nonanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
4-Amino-N-((S)-1-(4-chlorophenyl)-3-(4-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecanoyl)piperazin-1-yl)propyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
MS143