Account (R)-(3-((1-(3-((4-(N-(4-(4-(3-(2-(4-Chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-((trifluoromethyl)sulfonyl)phenyl)amino)-4-(phenylthio)butyl)piperidine-4-carbonyl)oxy)propyl)phosphonic acid
- Catalog No. :
- ACBLHR282
- CAS No. :
- 1619923-36-2
- Molecular Formula :
- C57H66ClF4N6O11PS4
- Molecular Weight :
- 1281.87
IUPAC Name:(R)-(3-((1-(3-((4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-((trifluoromethyl)sulfonyl)phenyl)amino)-4-(phenylthio)butyl)piperidine-4-carbonyl)oxy)propyl)phosphonic acid
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Product Information
| Product Name | (R)-(3-((1-(3-((4-(N-(4-(4-(3-(2-(4-Chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-((trifluoromethyl)sulfonyl)phenyl)amino)-4-(phenylthio)butyl)piperidine-4-carbonyl)oxy)propyl)phosphonic acid |
|---|---|
| IUPAC Name | (R)-(3-((1-(3-((4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-((trifluoromethyl)sulfonyl)phenyl)amino)-4-(phenylthio)butyl)piperidine-4-carbonyl)oxy)propyl)phosphonic acid |
| Molecular Formula | C57H66ClF4N6O11PS4 |
| Molecular Weight | 1281.87 |
| SMILES | S(C)(=O)(=O)C=1C(=C(N(C(C)C)C1C)C2=CC=C(Cl)C=C2)C3=CC(=CC(F)=C3)N4CCN(CC4)C5=CC=C(NS(=O)(=O)C6=CC(S(C(F)(F)F)(=O)=O)=C(N[C@H](CCN7CCC(C(OCCCP(=O)(O)O)=O)CC7)CSC8=CC=CC=C8)C=C6)C=C5 |
| InChI Key | QIOCQCYXBYUYLH-YACUFSJGSA-N |
| Synonym | APG1252 | APG-1252 | SCHEMBL15872908 | NSC835773 | NSC-835773 | CS-0116458 | AKOS040755512 | Pelcitoclax | 1619923-36-2 | (R)-3-(1-(3-(4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl) |
| CAS No. | 1619923-36-2 |
| PubChem CID | 76900653 |
Synthetic Route by SureRoute
2. ACBLHR282 Molecular Building Block Synthetic Route
Methyl (R)-1-(3-((4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-((trifluoromethyl)sulfonyl)phenyl)amino)-4-(phenylthio)butyl)piperidine-4-carboxylate
3-(Diethoxyphosphoryl)propyl (R)-1-(3-((4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-((trifluoromethyl)sulfonyl)phenyl)amino)-4-(phenylthio)butyl)piperidine-4-carboxylate
3-(Bis((trimethylsilyl)oxy)phosphoryl)propyl (R)-1-(3-((4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-((trifluoromethyl)sulfonyl)phenyl)amino)-4-(phenylthio)butyl)piperidine-4-carboxylate