Grazoprevir hydrate
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MedKoo CAT#: 326651

CAS#: 1350462-55-3 (hydrate)

Description: Grazoprevir, also known as MK5172, is a drug approved for the treatment of hepatitis C. Grazoprevir is a second generation hepatitis C virus protease inhibitor acting at the NS3/4a protease targets. It has good activity against a range of HCV genotype variants, including some that are resistant to most currently used antiviral medications.


Chemical Structure

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Grazoprevir hydrate
CAS# 1350462-55-3 (hydrate)

Theoretical Analysis

MedKoo Cat#: 326651
Name: Grazoprevir hydrate
CAS#: 1350462-55-3 (hydrate)
Chemical Formula: C38H52N6O10S
Exact Mass:
Molecular Weight: 784.926
Elemental Analysis: C, 58.15; H, 6.68; N, 10.71; O, 20.38; S, 4.08

Price and Availability

Size Price Availability Quantity
50.0mg USD 450.0 2 Weeks
100.0mg USD 750.0 2 Weeks
200.0mg USD 1250.0 2 Weeks
500.0mg USD 2650.0 2 Weeks
1.0g USD 3650.0 2 Weeks
2.0g USD 6250.0 2 Weeks
Bulk inquiry

Related CAS #: 1350514-68-9 (free)   1350462-55-3 (hydrate)   1206524-86-8 (potassium)   1425038-27-2 (sodium)    

Synonym: MK-5172; MK 5172; MK5172; Grazoprevir; Grazoprevir hydrate; trade name: Zepatier‎.

IUPAC/Chemical Name: (33R,35S,91R,92R,5S)-5-(tert-butyl)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxamide hydrate

InChi Key: RXSARIJMSJWJLZ-CIAYNJNFSA-N

InChi Code: InChI=1S/C38H50N6O9S.H2O/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27;/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47);1H2/t21-,22-,24-,29+,30-,31-,38-;/m1./s1

SMILES Code: O=C([C@H]1N(C2)C([C@H](C(C)(C)C)NC(O[C@@]3([H])[C@](C3)([H])CCCCCC4=NC5=CC=C(OC)C=C5N=C4O[C@]2([H])C1)=O)=O)N[C@@]6(C(NS(=O)(C7CC7)=O)=O)[C@H](C=C)C6.[H]O[H]

Appearance: White to off-white 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, not in water

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

Preparing Stock Solutions

The following data is based on the product molecular weight 784.926 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

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1: Hézode C, Kwo P, Sperl J, Hwang P, Long J, Talwani R, Robertson MN, Haber BA. Elbasvir/grazoprevir in women with hepatitis C virus infection taking oral contraceptives or hormone replacement therapy. Int J Womens Health. 2019 Nov 20;11:617-628. doi: 10.2147/IJWH.S203022. eCollection 2019. PubMed PMID: 31819666; PubMed Central PMCID: PMC6875497.

2: Asselah T, Pol S, Hezode C, Loustaud-Ratti V, Leroy V, Ahmed SNS, Ozenne V, Bronowicki JP, Larrey D, Tran A, Alric L, Nguyen-Khac E, Robertson MN, Hanna GJ, Brown D, Asante-Appiah E, Su FH, Hwang P, Hall JD, Guidoum A, Hagen K, Haber BA, Talwani R, Serfaty L. Efficacy and safety of elbasvir/grazoprevir for 8 or 12 weeks for hepatitis C virus: genotype 4 infection: a randomized study. Liver Int. 2019 Nov 25. doi: 10.1111/liv.14313. [Epub ahead of print] PubMed PMID: 31765046.

3: Zarębska-Michaluk D, Jaroszewicz J, Buczyńska I, Simon K, Lorenc B, Tudrujek-Zdunek M, Tomasiewicz K, Sitko M, Garlicki A, Janczewska E, Dybowska D, Halota W, Pawłowska M, Pabjan P, Mazur W, Czauż-Andrzejuk A, Berak H, Horban A, Socha Ł, Klapaczyński J, Piekarska A, Blaszkowska M, Belica-Wdowik T, Dobracka B, Tronina O, Deroń Z, Białkowska-Warzecha J, Laurans Ł, Flisiak R. Real world experience with Grazoprevir/Elbasvir in the treatment of previously "difficult to treat" patients infected with HCV genotype 1 and 4. J Gastroenterol Hepatol. 2019 Nov 16. doi: 10.1111/jgh.14936. [Epub ahead of print] PubMed PMID: 31734959.

4: Chen L, Chen J, Lu M, Stämpfli A. Simultaneous determination of elbasvir and grazoprevir in fixed-dose combination and mass spectral characterization of each degradation product by UHPLC-ESI-QTOF-MS/MS. J Pharm Biomed Anal. 2019 Nov 3:112964. doi: 10.1016/j.jpba.2019.112964. [Epub ahead of print] PubMed PMID: 31711865.

5: Tsai TC, Deng ST, Hsu CW. The efficacy and safety of elbasvir/grazoprevir treatment in HCV genotype 1 patients in Taiwan. J Med Virol. 2020 Feb;92(2):219-226. doi: 10.1002/jmv.25605. Epub 2019 Oct 22. PubMed PMID: 31599455.

6: Liu CJ, Tseng KC, Lo CC, Tseng IH, Cheng PN. Limited drug-drug interaction of elbasvir/grazoprevir for chronic hepatitis C. J Formos Med Assoc. 2019 Oct 5. pii: S0929-6646(19)30666-7. doi: 10.1016/j.jfma.2019.09.011. [Epub ahead of print] PubMed PMID: 31594667.

7: DeCarolis DD, Chen YC, Westanmo AD, Conley C, Gravely AA, Khan FB. Decreased warfarin sensitivity among patients treated with elbasvir and grazoprevir for hepatitis C infection. Am J Health Syst Pharm. 2019 Sep 1;76(17):1273-1280. doi: 10.1093/ajhp/zxz127. PubMed PMID: 31418789.

8: Papaluca T, Sinclair M, Gow P, Pianko S, Sievert W, Arachchi N, Cameron K, Bowden S, O'Keefe J, Doyle J, Stoove M, Hellard M, Iser D, Thompson A. Retreatment with elbasvir, grazoprevir, sofosbuvir ± ribavirin is effective for GT3 and GT1/4/6 HCV infection after relapse. Liver Int. 2019 Dec;39(12):2285-2290. doi: 10.1111/liv.14201. Epub 2019 Aug 13. PubMed PMID: 31355968.

9: Guo Z, Caro L, Robertson MN, Hwang P, Hoover P, Wudarski C, Maiuri K, Wang YH, Mogg R, Mehrotra DV, Blanchard R, Shaw PM. The pharmacogenetics of OATP1B1 variants and their impact on the pharmacokinetics and efficacy of elbasvir/grazoprevir. Pharmacogenomics. 2019 Jun;20(9):631-641. doi: 10.2217/pgs-2019-0022. PubMed PMID: 31250727.

10: Feng HP, Guo Z, Caro L, Talaty JE, Mangin E, Panebianco D, Fandozzi C, Zhu Y, Marshall W, Huang X, Hanley WD, Jumes P, Valesky R, Martinho M, Butterton JR, Iwamoto M, Yeh WW. Assessment of Drug Interaction Potential Between the Hepatitis C Virus Direct-Acting Antiviral Agents Elbasvir/Grazoprevir and the Nucleotide Analog Reverse-Transcriptase Inhibitor Tenofovir Disoproxil Fumarate. Clin Pharmacol Drug Dev. 2019 Oct;8(7):962-970. doi: 10.1002/cpdd.701. Epub 2019 Jun 7. PubMed PMID: 31173674.

11: Feng HP, Guo Z, Fandozzi C, Panebianco D, Caro L, Wolford D, Dreyer DP, Valesky R, Martinho M, Rizk ML, Iwamoto M, Yeh WW. Pharmacokinetic Interactions Between the Fixed-Dose Combinations of Elvitegravir/Cobicistat/Tenofovir Disoproxil Fumarate/Emtricitabine and Elbasvir/Grazoprevir in Healthy Adult Participants. Clin Pharmacol Drug Dev. 2019 Oct;8(7):952-961. doi: 10.1002/cpdd.702. Epub 2019 Jun 7. PubMed PMID: 31173673.

12: Lee YJ, Heo J, Kim DY, Chung WJ, Tak WY, Kim YJ, Paik SW, Sim E, Kulasingam S, Talwani R, Haber B, Hwang P. An integrated analysis of elbasvir/grazoprevir in Korean patients with hepatitis C virus genotype 1b infection. Clin Mol Hepatol. 2019 May 28. doi: 10.3350/cmh.2019.0006. [Epub ahead of print] PubMed PMID: 31132846.

13: Lin YC, Li SW, Ku SY, Hsieh HT, Lin MH, Chang SY, Wu WW, Sun NL, Cheng SH, Cheng CY. Grazoprevir/elbasvir in peginterferon alfa plus ribavirin experienced patients with chronic genotype 1 HCV/HIV co-infection: a non-randomized, open-label clinical trial. Infect Drug Resist. 2019 Apr 18;12:937-945. doi: 10.2147/IDR.S206938. eCollection 2019. PubMed PMID: 31114268; PubMed Central PMCID: PMC6489556.

14: Mashiba T, Joko K, Kurosaki M, Ochi H, Hasebe C, Akahane T, Sohda T, Tsuji K, Mitsuda A, Kimura H, Narita R, Ogawa C, Furuta K, Shigeno M, Okushin H, Ito H, Kusakabe A, Satou T, Kawanami C, Nakata R, Kobashi H, Tamada T, Ide Y, Yagisawa H, Morita A, Matsushita T, Okada K, Izumi N. Real-world efficacy of elbasvir and grazoprevir for hepatitis C virus (genotype 1): A nationwide, multicenter study by the Japanese Red Cross Hospital Liver Study Group. Hepatol Res. 2019 Oct;49(10):1114-1120. doi: 10.1111/hepr.13362. Epub 2019 Jun 14. PubMed PMID: 31077527.

15: Huang CF, Hung CH, Cheng PN, Bair MJ, Huang YH, Kao JH, Hsu SJ, Lee PL, Chen JJ, Chien RN, Peng CY, Lin CY, Hsieh TY, Cheng CH, Dai CY, Huang JF, Chuang WL, Yu ML. An Open-Label, Randomized, Active-Controlled Trial of 8 Versus 12 Weeks of Elbasvir/Grazoprevir for Treatment-Naive Patients With Chronic Hepatitis C Genotype 1b Infection and Mild Fibrosis (EGALITE Study): Impact of Baseline Viral Loads and NS5A Resistance-Associated Substitutions. J Infect Dis. 2019 Jul 19;220(4):557-566. doi: 10.1093/infdis/jiz154. PubMed PMID: 30957170.

16: Jacobson IM, Poordad F, Firpi-Morell R, Everson GT, Verna EC, Bhanja S, Hwang P, Caro L, Robertson M, Charles ED, Platt H. Elbasvir/Grazoprevir in People With Hepatitis C Genotype 1 Infection and Child-Pugh Class B Cirrhosis: The C-SALT Study. Clin Transl Gastroenterol. 2019 Apr;10(4):e00007. doi: 10.14309/ctg.0000000000000007. PubMed PMID: 30939489; PubMed Central PMCID: PMC6493687.

17: Flamm S, Peng CY, Shibolet O, Nahass R, Hwang P, Barr E, Robertson MN, Haber BA. Efficacy and Safety of Elbasvir/Grazoprevir in Hepatitis C Virus GT1- and GT4-Infected People Aged 65 Years or Older. Gerontol Geriatr Med. 2019 Jan 22;5:2333721418817398. doi: 10.1177/2333721418817398. eCollection 2019 Jan-Dec. PubMed PMID: 30891470; PubMed Central PMCID: PMC6415929.

18: Ankrom W, Sanchez RI, Yee KL, Fan L, Mitra P, Wolford D, Triantafyllou I, Sterling LM, Stoch SA, Iwamoto M, Khalilieh S. Investigation of Pharmacokinetic Interactions between Doravirine and Elbasvir-Grazoprevir and Ledipasvir-Sofosbuvir. Antimicrob Agents Chemother. 2019 Apr 25;63(5). pii: e02491-18. doi: 10.1128/AAC.02491-18. Print 2019 May. PubMed PMID: 30782982; PubMed Central PMCID: PMC6496042.

19: Wei L, Kumada H, Perumalswami PV, Tanwandee T, Cheng W, Heo J, Cheng PN, Hwang P, Mu SM, Zhao XM, Asante-Appiah E, Caro L, Hanna GJ, Robertson MN, Haber BA, Talwani R. Safety and efficacy of elbasvir/grazoprevir in Asian participants with hepatitis C virus genotypes 1 and 4 infection. J Gastroenterol Hepatol. 2019 Sep;34(9):1597-1603. doi: 10.1111/jgh.14636. Epub 2019 Apr 17. PubMed PMID: 30779220.

20: van Seyen M, de Graaff Teulen MJA, van Erp NP, Burger DM. Quantification of second generation direct-acting antivirals daclatasvir, elbasvir, grazoprevir, ledipasvir, simeprevir, sofosbuvir and velpatasvir in human plasma by UPLC-MS/MS. J Chromatogr B Analyt Technol Biomed Life Sci. 2019 Mar 15;1110-1111:15-24. doi: 10.1016/j.jchromb.2019.01.024. Epub 2019 Jan 28. PubMed PMID: 30776611.