Account N1-((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)-N11-(2-(4-((4'-(4-methylpiperazin-1-yl)-3'-(6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamido)-[1,1'-biphenyl]-3-yl)methyl)piperazin-1-yl)ethyl)undecanediamide
- Catalog No. :
- ACLJIP552
- CAS No. :
- 2407449-11-8
- Molecular Formula :
- C64H84F3N11O7S
- Molecular Weight :
- 1208.51
IUPAC Name:-
![N1-((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)-N11-(2-(4-((4'-(4-methylpiperazin-1-yl)-3'-(6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamido)-[1,1'-biphenyl]-3-yl)methyl)piperazin-1-yl)ethyl)undecanediamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | N1-((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)-N11-(2-(4-((4'-(4-methylpiperazin-1-yl)-3'-(6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamido)-[1,1'-biphenyl]-3-yl)methyl)piperazin-1-yl)ethyl)undecanediamide |
|---|---|
| Molecular Formula | C64H84F3N11O7S |
| Molecular Weight | 1208.51 |
| SMILES | N(C(=O)C=1C(C(F)(F)F)=CC(=O)NC1)C2=C(C=CC(=C2)C3=CC(CN4CCN(CCNC(CCCCCCCCCC(N[C@H](C(=O)N5[C@H](C(NCC6=CC=C(C=C6)C=7SC=NC7C)=O)C[C@@H](O)C5)[C@](C)(C)C)=O)=O)CC4)=CC=C3)N8CCN(C)CC8 |
| InChI Key | GLYGYEQLMMPSAW-QWQPEEPRSA-N |
| Synonym | MS33 |
| CAS No. | 2407449-11-8 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACLJIP552 Molecular Building Block Synthetic Route
N-(4'-((6-(((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)-6-oxohexyl)carbamoyl)-4-(4-methylpiperazin-1-yl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
N-(2'-Fluoro-5'-((2-(((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)-2-oxoethyl)carbamoyl)-4-((3R,5S)-3,4,5-trimethylpiperazin-1-yl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
N-(2'-Fluoro-5'-((2-(((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)-2-oxoethyl)carbamoyl)-4-((3R,5S)-3,4,5-trimethylpiperazin-1-yl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl