Account (1R,3S,4S)-tert-Butyl 3-(6-(7-(2-((S)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
- Catalog No. :
- ACKRNX841
- CAS No. :
- 1499193-65-5
- Molecular Formula :
- C45H48F2N6O4
- Molecular Weight :
- 774.91
IUPAC Name:tert-butyl (S)-6-(5-(7-(2-((1R,3S,4S)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate
![(1R,3S,4S)-tert-Butyl 3-(6-(7-(2-((S)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1R,3S,4S)-tert-Butyl 3-(6-(7-(2-((S)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate |
|---|---|
| IUPAC Name | tert-butyl (S)-6-(5-(7-(2-((1R,3S,4S)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate |
| Molecular Formula | C45H48F2N6O4 |
| Molecular Weight | 774.91 |
| SMILES | C(OC(C)(C)C)(=O)N1CC2(C[C@]1(C=3NC(=CN3)C=4C=C5C(=CC4)C=6C(C5(F)F)=CC(=CC6)C=7C=C8C(=CC7)N=C(N8)[C@]9(N(C(OC(C)(C)C)=O)[C@H]%10C[C@@H]9CC%10)[H])[H])CC2 |
| InChI Key | ZVEBIERALJAHTN-PQMSPAIHSA-N |
| Synonym | Ledipasvir IMP;(1R,3S,4S)-tert-butyl 3-(6-(7-(2-((S)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptan-6-yl)-1H-iMidazol-5-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-benzo[d]iMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carbox;Ledipasvir Impurity;ledipasvir Impurity C;5-Azaspiro[2.4]heptane-5-carboxylic acid, 6-[5-[7-[2-[(1R,3S,4S)-2-[(1,1-dimethylethoxy)carbonyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (6S)-;(1R,3S,4S)-tert-butyl3-(6-(7-(2-((S)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptan-6-yl)-1H-iMidazol-Chemicalbook5-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-benzo[d]iMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (S)-6-(5-(7-(2-((1R,3S,4S)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate;(1R,3S,4S)-tert-butyl 3-(6-(7-(2-((S)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptan-6-yl)-1H-iMidazol-5-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-benzo[d]iMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| CAS No. | 1499193-65-5 |
Synthetic Route by SureRoute
2. ACKRNX841 Molecular Building Block Synthetic Route
(1R,3S,4S)-tert-Butyl 3-(6-(7-(2-((S)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate oxalate
Ledipasvir Intermediate
Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate