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Ledipasvir

 - GS5885
Axon 3300
CAS:  1256388-51-8
  • Optical Purity:  Optically pure
  • Soluble in 0.1N HCl(aq) and DMSO
  • MF:  C49H54F2N8O6
  • MW:  889

Description

Ledipasvir is a potent and orally available NS5A inhibitor with an HCV GT1a replicon EC50 value of 31 pM.

More Information

Parent CAS No. 1256388-51-8
Chemical 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
SMILES N1C=C(C2=CC3C(F)(F)C4=CC(C5C=C6NC([C@@H]7[C@@H]8C[C@@H](CC8)N7C(=O)[C@H](C(C)C)NC(OC)=O)=NC6=CC=5)=CC=C4C=3C=C2)NC=1[C@@H]1CC2(CC2)CN1C([C@@H](NC(=O)OC)C(C)C)=O |&1:17,18,20,26,47,55,r|
MFCD N.A.
InChi InChI=1S/C49H54F2N8O6/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/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)/t29-,30+,38-,39-,40-,41-/m0/s1
InChiKey VRTWBAAJJOHBQU-KMWAZVGDSA-N
CID 67505836
Short Description HCV NS5A protein inhibitor

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