WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 314253

CAS#: 1256388-51-8

Description: Ledipasvir, also known as GS-5885; is an inhibitor of the hepatitis C virus NS5A protein and is a drug for the treatment of hepatitis C that was developed by Gilead Sciences. On October 10, 2014 the FDA approved the combination product ledipasvir 90 mg/sofosbuvir 400 mg (trade name Harvoni). The ledipasvir/sofosbuvir combination is a direct-acting antiviral agent that interferes with HCV replication and can be used to treat patients with genotypes 1a or 1b without PEG-interferon or ribavirin. (http://en.wikipedia.org/wiki/Ledipasvir)

Chemical Structure

CAS# 1256388-51-8

Theoretical Analysis

MedKoo Cat#: 314253
Name: Ledipasvir
CAS#: 1256388-51-8
Chemical Formula: C49H54F2N8O6
Exact Mass: 888.41344
Molecular Weight: 889.0
Elemental Analysis: C, 66.20; H, 6.12; F, 4.27; N, 12.60; O, 10.80

Price and Availability

Size Price Availability Quantity
50.0mg USD 150.0 Same day
100.0mg USD 250.0 Ready to ship
200.0mg USD 450.0 Same day
500.0mg USD 950.0 Ready to ship
1.0g USD 1650.0 Same day
2.0g USD 2950.0 Ready to ship
5.0g USD 5250.0 Same day
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Synonym: GS5885; GS-5885; GS 5885; Ledipasvir; trade name: Harvoni.

IUPAC/Chemical Name: Methyl N-[(2S)-1-[(6S)-6-[5-[9,9-Difluoro-7-[2-[(1S,2S,4R)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3-azabicyclo[2.2.1]heptan-2-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


InChi Code: 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

SMILES Code: O=C(OC)N[C@@H](C(C)C)C(N([C@H](C1=NC=C(C2=CC(C(F)(F)C3=C4C=CC(C5=CC=C6C(NC([C@@H]7[C@@](C8)([H])CC[C@@]8([H])N7C([C@@H](NC(OC)=O)C(C)C)=O)=N6)=C5)=C3)=C4C=C2)N1)C9)CC%109CC%10)=O

Appearance: Solid powder

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

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO.

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Biological target: Ledipasvir (GS-5885) is an inhibitor of the hepatitis C virus NS5A, with EC50s of 34 pM and 4 pM against genotype 1a and 1b replicon, respectively. Ledipasvir is also a SARS-CoV 3CLpro inhibitor with an IC50 of 1.62 μM.
In vitro activity: LDV has picomolar and selective antiviral activity in multiple HCV genotype 1a and 1b replicon cell lines, with EC50 values of 0.031 nM and 0.004 nM, respectively (Table 1), and has low cellular toxicity (CC50, ≥10,000 nM [Table 3]). LDV is also active against genotypes 4a, 4d, 5a, and 6a, with EC50 values of 0.39 nM, 0.29 nM, 0.15 nM, and 0.11 to1.1 nM, respectively. In summary, LDV active antiviral activity against multiple HCV genotypes and its orthogonal resistance profile and additive to synergistic antiviral activity when combined with other classes of HCV inhibitors support its use in combination with SOF and other DAA agents for the treatment of chronic HCV infection. Reference: Antimicrob Agents Chemother. 2016 Mar; 60(3): 1847–1853. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4775926/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
DMSO 56.67 63.75
DMF 30.0 33.75
Ethanol 65.0 0.07
Ethanol:PBS (pH 7.2) (1:2) 0.33 0.37

Preparing Stock Solutions

The following data is based on the product molecular weight 889.0 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Cheng G, Tian Y, Doehle B, Peng B, Corsa A, Lee YJ, Gong R, Yu M, Han B, Xu S, Dvory-Sobol H, Perron M, Xu Y, Mo H, Pagratis N, Link JO, Delaney W. In Vitro Antiviral Activity and Resistance Profile Characterization of the Hepatitis C Virus NS5A Inhibitor Ledipasvir. Antimicrob Agents Chemother. 2016 Jan 11;60(3):1847-1853. doi: 10.1128/AAC.02524-15. PMID: 26824950; PMCID: PMC4775926.
In vitro protocol: 1. Cheng G, Tian Y, Doehle B, Peng B, Corsa A, Lee YJ, Gong R, Yu M, Han B, Xu S, Dvory-Sobol H, Perron M, Xu Y, Mo H, Pagratis N, Link JO, Delaney W. In Vitro Antiviral Activity and Resistance Profile Characterization of the Hepatitis C Virus NS5A Inhibitor Ledipasvir. Antimicrob Agents Chemother. 2016 Jan 11;60(3):1847-1853. doi: 10.1128/AAC.02524-15. PMID: 26824950; PMCID: PMC4775926.
In vivo protocol: TBD

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1: Younossi ZM, Stepanova M, Marcellin P, Afdhal N, Kowdley KV, Zeuzem S, Hunt SL. Treatment with ledipasvir and sofosbuvir improves patient-reported outcomes: Results from the Ion-1, 2 and 3 clinical trials. Hepatology. 2015 Jan 27. doi: 10.1002/hep.27724. [Epub ahead of print] PubMed PMID: 25627448.

2: Younossi ZM, Park H, Saab S, Ahmed A, Dieterich D, Gordon SC. Cost-effectiveness of all-oral ledipasvir/sofosbuvir regimens in patients with chronic hepatitis C virus genotype 1 infection. Aliment Pharmacol Ther. 2015 Jan 26. doi: 10.1111/apt.13081. [Epub ahead of print] PubMed PMID: 25619871.

3: Smith MA, Chan J, Mohammad RA. Ledipasvir-Sofosbuvir: Interferon-/Ribavirin-Free Regimen for Chronic Hepatitis C Virus Infection. Ann Pharmacother. 2014 Dec 16. pii: 1060028014563952. [Epub ahead of print] Review. PubMed PMID: 25515863.

4: A combination of ledipasvir and sofosbuvir (Harvoni) for hepatitis C. Med Lett Drugs Ther. 2014 Nov 10;56(1455):111-2. PubMed PMID: 25372848.

5: A SPECIAL MEETING REVIEW EDITION: Advances in the Treatment of Hepatitis C Virus Infection from The Liver Meeting 2013: The 64th Annual Meeting of the American Association for the Study of Liver DiseasesNovember 1-5, 2013 • Washington DCSpecial Reporting on:• Simeprevir plus Sofosbuvir with or without Ribavirin Produces High SVR Rates in Genotype 1 HCV Infection• Novel Interferon- and Ribavirin-Free Regimen Results in SVR12 Rates of Over 90% in HCV Genotype 1b Infection• Studies Confirm Efficacy of Adjunctive Simeprevir in Difficult-to-Treat HCV Genotype 1 Subpopulations• All-Oral Therapy with Sofosbuvir Plus Ribavirin Produces High SVR Rates in Patients Coinfected with HCV and HIV• Faldaprevir Combined with Pegylated Interferon and Ribavirin Demonstrates High Efficacy in DifficuIt-to-Treat HCV Infection• Once Daily Sofosbuvir/Ledipasvir Combination Elicits Rapid Decline in HCV RNAPLUS Meeting Abstract Summaries With Expert Commentary by: Ira M. Jacobson, MDWeill Cornell Medical CollegeNew York, New York. Gastroenterol Hepatol (N Y). 2014 Jan;10(1 Suppl 1):1-19. PubMed PMID: 25337060; PubMed Central PMCID: PMC4201083.

6: Gentile I, Borgia G. Ledipasvir/Sofosbuvir administration achieves very high rate of viral clearance in patients with HCV genotype 1 infection without cirrhosis, regardless of ribavirin co-administration or length of treatment. Evid Based Med. 2014 Dec;19(6):223-4. doi: 10.1136/ebmed-2014-110051. Epub 2014 Jul 15. PubMed PMID: 25028605.

7: German P, Moorehead L, Pang P, Vimal M, Mathias A. Lack of a clinically important pharmacokinetic interaction between sofosbuvir or ledipasvir and hormonal oral contraceptives norgestimate/ethinyl estradiol in HCV-uninfected female subjects. J Clin Pharmacol. 2014 Nov;54(11):1290-8. doi: 10.1002/jcph.346. Epub 2014 Jun 24. PubMed PMID: 24925712.

8: Afdhal N, Zeuzem S, Kwo P, Chojkier M, Gitlin N, Puoti M, Romero-Gomez M, Zarski JP, Agarwal K, Buggisch P, Foster GR, Bräu N, Buti M, Jacobson IM, Subramanian GM, Ding X, Mo H, Yang JC, Pang PS, Symonds WT, McHutchison JG, Muir AJ, Mangia A, Marcellin P; ION-1 Investigators. Ledipasvir and sofosbuvir for untreated HCV genotype 1 infection. N Engl J Med. 2014 May 15;370(20):1889-98. doi: 10.1056/NEJMoa1402454. Epub 2014 Apr 11. PubMed PMID: 24725239.

9: Afdhal N, Reddy KR, Nelson DR, Lawitz E, Gordon SC, Schiff E, Nahass R, Ghalib R, Gitlin N, Herring R, Lalezari J, Younes ZH, Pockros PJ, Di Bisceglie AM, Arora S, Subramanian GM, Zhu Y, Dvory-Sobol H, Yang JC, Pang PS, Symonds WT, McHutchison JG, Muir AJ, Sulkowski M, Kwo P; ION-2 Investigators. Ledipasvir and sofosbuvir for previously treated HCV genotype 1 infection. N Engl J Med. 2014 Apr 17;370(16):1483-93. doi: 10.1056/NEJMoa1316366. Epub 2014 Apr 11. PubMed PMID: 24725238.

10: Kowdley KV, Gordon SC, Reddy KR, Rossaro L, Bernstein DE, Lawitz E, Shiffman ML, Schiff E, Ghalib R, Ryan M, Rustgi V, Chojkier M, Herring R, Di Bisceglie AM, Pockros PJ, Subramanian GM, An D, Svarovskaia E, Hyland RH, Pang PS, Symonds WT, McHutchison JG, Muir AJ, Pound D, Fried MW; ION-3 Investigators. Ledipasvir and sofosbuvir for 8 or 12 weeks for chronic HCV without cirrhosis. N Engl J Med. 2014 May 15;370(20):1879-88. doi: 10.1056/NEJMoa1402355. Epub 2014 Apr 10. PubMed PMID: 24720702.

11: Gentile I, Buonomo AR, Borgia F, Castaldo G, Borgia G. Ledipasvir : a novel synthetic antiviral for the treatment of HCV infection. Expert Opin Investig Drugs. 2014 Apr;23(4):561-71. doi: 10.1517/13543784.2014.892581. Epub 2014 Mar 4. Review. PubMed PMID: 24593285.

12: Wyles DL, Rodriguez-Torres M, Lawitz E, Shiffman ML, Pol S, Herring RW, Massetto B, Kanwar B, Trenkle JD, Pang PS, Zhu Y, Mo H, Brainard DM, Subramanian GM, McHutchison JG, Habersetzer F, Sulkowski MS. All-oral combination of ledipasvir, vedroprevir, tegobuvir, and ribavirin in treatment-naïve patients with genotype 1 HCV infection. Hepatology. 2014 Jul;60(1):56-64. doi: 10.1002/hep.27053. Epub 2014 May 28. PubMed PMID: 24501005.

13: Link JO, Taylor JG, Xu L, Mitchell M, Guo H, Liu H, Kato D, Kirschberg T, Sun J, Squires N, Parrish J, Keller T, Yang ZY, Yang C, Matles M, Wang Y, Wang K, Cheng G, Tian Y, Mogalian E, Mondou E, Cornpropst M, Perry J, Desai MC. 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. doi: 10.1021/jm401499g. Epub 2014 Jan 10. PubMed PMID: 24320933.

14: Gane EJ, Stedman CA, Hyland RH, Ding X, Svarovskaia E, Subramanian GM, Symonds WT, McHutchison JG, Pang PS. Efficacy of nucleotide polymerase inhibitor sofosbuvir plus the NS5A inhibitor ledipasvir or the NS5B non-nucleoside inhibitor GS-9669 against HCV genotype 1 infection. Gastroenterology. 2014 Mar;146(3):736-743.e1. doi: 10.1053/j.gastro.2013.11.007. Epub 2013 Nov 18. PubMed PMID: 24262278.

15: Lawitz E, Poordad FF, Pang PS, Hyland RH, Ding X, Mo H, Symonds WT, McHutchison JG, Membreno FE. Sofosbuvir and ledipasvir fixed-dose combination with and without ribavirin in treatment-naive and previously treated patients with genotype 1 hepatitis C virus infection (LONESTAR): an open-label, randomised, phase 2 trial. Lancet. 2014 Feb 8;383(9916):515-23. doi: 10.1016/S0140-6736(13)62121-2. Epub 2013 Nov 5. Erratum in: Lancet. 2014 Mar 8;383(9920):870. PubMed PMID: 24209977.