Account (2S,2'S)-Di-tert-butyl 2,2'-(5,5'-((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(6-fluoro-1H-benzo[d]imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate)
- Catalog No. :
- ACJBSR065
- CAS No. :
- 1890114-11-0
- Molecular Formula :
- C53H59F5N8O4
- Molecular Weight :
- 967.10
IUPAC Name:di-tert-butyl 2,2'-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-1H-benzo[d]imidazole-6,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate)
![(2S,2'S)-Di-tert-butyl 2,2'-(5,5'-((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(6-fluoro-1H-benzo[d]imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate) structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,2'S)-Di-tert-butyl 2,2'-(5,5'-((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(6-fluoro-1H-benzo[d]imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate) |
|---|---|
| IUPAC Name | di-tert-butyl 2,2'-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-1H-benzo[d]imidazole-6,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) |
| Molecular Formula | C53H59F5N8O4 |
| Molecular Weight | 967.10 |
| SMILES | O=C(OC(C)(C)C)N1CCC[C@H]1C2=NC3=C(N2)C=C(F)C([C@@H]4N(C5=CC(F)=C(N6CCC(C7=CC=C(F)C=C7)CC6)C(F)=C5)[C@@H](C8=CC9=C(NC([C@H]%10N(C(OC(C)(C)C)=O)CCC%10)=N9)C=C8F)CC4)=C3 |
| InChI Key | XPFFHMRTDUQKDT-NLBJKKAISA-N |
| Synonym | (2S,2'S)-2,2'-[[(2R,5R)-1-[3,5-Difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis(6-fluoro-1H-benzimidazole-5,2-diyl)]bis-1-pyrrolidinecarboxylic acid 1,1'-bis(1,1-dimethylet;(2S,2'S)-[[(2R, 5R)-1-[3,5-difluoro-4-(4-(4- fluorophenyl)-1-piperidinyl)phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl 1H-benzimidzol e-2,5-diyl)]bis(1-pyrrolidinecarboxylic acid,;(2S,2'S)-[[(2R, 5R)-1-[3,5-difluoro-4-(4-(4- fluorophenyl)-1-piperidinyl)phenyl]-2,5-pyrrolidinediyl]bis[6-fluoro-2-(2S)-2-pyrrolidinyl 1H-benzimidzol e-2,5-diyl)]bis(1-pyrrolidinecarboxylic acid, 1,1'-bis(1,1'-dimethylethyl)ester;(2S,2,S)-2,2,-[[(2R,5R)-1-[3,5-Difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis(6-fluoro-1H-benzimidazole-5,2-diyl)]bis-1-;(2s,2's)-2,2'-(((2r,5r)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)-1-piperidinyl)phenyl)-2,5-pyrrolidinediyl)bis(6-fluoro-1h-benzimidazole-5,2-diyl))bis-1-pyrrolidinecarboxylic acid 1,1'-bis(1,1-dimethylethyl) ester;(2s,2's)-2,2'-(((2r,5r)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)-1-piperidinyl)phenyl)-2,5-pyrrolidined;P-N-2;Pibrentasvir Impurity 2 |
| CAS No. | 1890114-11-0 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACJBSR065 Molecular Building Block Synthetic Route
(S)-5,5'-((2R,5R)-1-(3,5-Difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(6-fluoro-2-((S)-pyrrolidin-2-yl)-1H-benzo[d]imidazole)
Dimethyl ((2S,2'S,3R,3'R)-((2S,2'S)-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-1H-benzo[d]imidazole-6,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methoxy-1-oxobutane-1,2-diyl))dicarbamate
DBCO-PEG4-Phe-Lys(5F-Top)