For research use only. Not for therapeutic Use.
Ledipasvir acetone（Cat No.:I001703）is a derivative of Ledipasvir, a direct-acting antiviral agent used in the treatment of hepatitis C virus (HCV) infection. It inhibits the NS5A protein, crucial for HCV replication and assembly, making it an essential tool for studying viral lifecycle mechanisms. Ledipasvir acetone is utilized in pharmaceutical research for method development, impurity profiling, and quality control of antiviral formulations. Its role in understanding drug interactions and resistance pathways contributes significantly to optimizing therapeutic strategies and advancing the development of effective treatments for HCV infections.
| Catalog Number | I001703 |
| CAS Number | 1441674-54-9 |
| Molecular Formula | C52H60F2N8O7 |
| Purity | ≥95% |
| Target | HCV |
| Solubility | DMSO: ≥ 39 mg/mL |
| Storage | Store at -20C |
| IC50 | 141 nM (EC50, JFH1/3a-NS5A hybrid replicon) |
| IUPAC Name | methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;propan-2-one |
| InChI | InChI=1S/C49H54F2N8O6.C3H6O/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6;1-3(2)4/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63);1-2H3/t29-,30+,38-,39-,40-,41-;/m0./s1 |
| InChIKey | FJPWYOHJVGOKNZ-NDANSHMASA-N |
| SMILES | CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC.CC(=O)C |
| Reference | <p style=/line-height:25px/> |
