Ledipasvir (D-tartrate)

Ledipasvir (D-tartrate) with EC50 values of 34 pM against GT1a and 4 pM against GT1b replicon. is an inhibitor of the hepatitis C virus NS5A.

Product information

CAS Number: 1502654-87-6

Molecular Weight: 1039.09

Formula: C53H60F2N8O12

Synonym:

GS-5885 D-tartrate

Chemical Name: (2S,3S)-2,3-dihydroxybutanedioic acid; methyl N-[(2S)-1-[(6S)-6-[5-(9,9-difluoro-7-{2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-1,3-benzodiazol-6-yl}-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Smiles: CC(C)[C@H](NC(=O)OC)C(=O)N1CC2(C[C@H]1C1NC(=CN=1)C1=CC3=C(C=C1)C1=CC=C(C=C1C3(F)F)C1=CC3NC(=NC=3C=C1)[C@@H]1[C@@H]3C[C@@H](CC3)N1C(=O)[C@@H](NC(=O)OC)C(C)C)CC2.OC(=O)[C@@H](O)[C@H](O)C(O)=O

InChiKey: ZQVLPYMRXLPMDX-KEAIDYLOSA-N

InChi: InChI=1S/C49H54F2N8O6.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/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);1-2,5-6H,(H,7,8)(H,9,10)/t29-,30+,38-,39-,40-,41-;1-,2-/m00/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO: ≥ 28 mg/mL (26.95 mM)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥360 days if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

1. Link JO, et al. Discovery of ledipasvir (GS-5885): a potent, once-daily oral NS5A inhibitor for the treatment of hepatitis C virus infection. J Med Chem. 2014 Mar 13;57(5):2033-46
2. 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.

Products are for research use only. Not for human use.