Ledipasvir diacetone

• CAT Number: I001858
• CAS Number: 1502655-48-2
• Molecular Formula: C55H66F2N8O8
• Molecular Weight: 1005.16
• Purity: ≥95%
• Target: HCV
• Solubility: 10 mM in DMSO
• Storage: Store at -20C
• IC50: 141 nM (EC50, JFH1/3a-NS5A hybrid replicon) [1]
• 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/C49H54F2N8O6.2C3H6O/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;2*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);2*1-2H3/t29-,30+,38-,39-,40-,41-;;/m0../s1
• InChIKey: LXKDKHCANHWUPC-YGWQTYEPSA-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.CC(=O)C

Ledipasvir diacetone（Cat No.:I001858）is a derivative of Ledipasvir, an antiviral agent targeting hepatitis C virus (HCV). It functions as an NS5A inhibitor, disrupting viral replication and assembly. The diacetone form enhances its stability and solubility, making it valuable for pharmaceutical and biochemical research. Ledipasvir diacetone is crucial for studying HCV treatment strategies, particularly in combination therapies aimed at achieving sustained virologic response. Its role in targeting the viral replication complex underscores its significance in advancing antiviral drug development, offering insights into combating chronic HCV infections effectively.

Reference

[1]. Hernandez D, et al. Natural prevalence of NS5A polymorphisms in subjects infected with hepatitis C virus genotype 3 and their effects on the antiviral activity of NS5A inhibitors. J Clin Virol. 2013 May;57(1):13-8.

[2]. Lawitz EJ, et al. A phase 1, randomized, placebo-controlled, 3-day, dose-ranging study of GS-5885, an NS5A inhibitor, in patients with genotype 1 hepatitis C. J Hepatol. 2012 Jul;57(1):24-31.