Danoprevir (Cat.No:I005105) is a potent hepatitis C virus (HCV) NS3/4A protease inhibitor. It works by blocking viral replication and inhibiting the enzyme necessary for viral replication. Danoprevir, in combination with other antiviral agents, has shown promising results in the treatment of chronic hepatitis C.
| Catalog Number | I005105 |
| CAS Number | 850876-88-9 |
| Synonyms | (2R,6S,13aS,14aR,16aS,Z)-6-((tert-butoxycarbonyl)amino)-14a-((cyclopropylsulfonyl)carbamoyl)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoroisoindoline-2-carboxylat |
| Molecular Formula | C35H46FN5O9S |
| Purity | ≥95% |
| Target | HCV Protease |
| Solubility | DMSO:≥144 mg/mL;Water:1 mg/mL; Ethanol:≥144 mg/mL ; |
| Storage | 3 years -20℃powder |
| IC50 | 0.2-3.5 nM |
| IUPAC Name | [(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate |
| InChI | InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1 |
| InChIKey | ZVTDLPBHTSMEJZ-JSZLBQEHSA-N |
| SMILES | CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6 |
| Reference | </br>1:Ritonavir-boosted danoprevir plus peginterferon alfa-2a and ribavirin in Asian chronic hepatitis C patients with or without cirrhosis. Kao JH, Tung SY, Lee Y, Thongsawat S, Tanwandee T, Sheen IS, Wu JJ, Li H, Brennan BJ, Zhou J, Le Pogam S, Najera I, Thommes JA, Hill G.J Gastroenterol Hepatol. 2016 Oct;31(10):1757-1765. doi: 10.1111/jgh.13374. PMID: 26992248 </br>2:Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevir. Meeprasert A, Hannongbua S, Kungwan N, Rungrotmongkol T.Mol Biosyst. 2016 Nov 15;12(12):3666-3673. PMID: 27731877 </br>3:Danoprevir pharmacokinetic/viral kinetic model for treating chronic HCV – some considerations. Srinivas NR.Antivir Ther. 2016;21(7):647-648. doi: 10.3851/IMP3046. Epub 2016 Apr 1. No abstract available. PMID: 27550927 </br>4:Reply to: Danoprevir pharmacokinetic/viral kinetic model for treating chronic HCV – some considerations. Canini L, Guedj J, Perelson AS.Antivir Ther. 2016;21(7):648-649. doi: 10.3851/IMP3045. Epub 2016 Apr 1. No abstract available. PMID: 27550924 </br>5:Ritonavir-boosted danoprevir-based regimens in treatment-naive and prior null responders with HCV genotype 1 or 4 and compensated cirrhosis. Gane EJ, Rouzier R, Hassanein T, Stedman CA, Mazur W, Kupcova V, Le Pogam S, Eng S, Voulgari A, Morcos PN, Brennan BJ, Scalori A, Thommes J.Hepatol Int. 2016 May;10(3):478-87. doi: 10.1007/s12072-015-9699-9. Epub 2016 Feb 17. PMID: 26886127 </br>6:Modelling the interaction between danoprevir and mericitabine in the treatment of chronic HCV infection. Canini L, Guedj J, Chatterjee A, Lemenuel-Diot A, Smith PF, Perelson AS.Antivir Ther. 2016;21(4):297-306. doi: 10.3851/IMP3006. Epub 2015 Nov 10. PMID: 26555159 Free PMC Article</br>7:Randomized study of danoprevir/ritonavir-based therapy for HCV genotype 1 patients with prior partial or null responses to peginterferon/ribavirin. Song ZZ.J Hepatol. 2015 Sep;63(3):769-70. doi: 10.1016/j.jhep.2015.03.042. Epub 2015 Jul 2. No abstract available. PMID: 26142179 </br>8:Characterization of the transmembrane transport and absolute bioavailability of the HCV protease inhibitor danoprevir. Brennan BJ, Poirier A, Moreira S, Morcos PN, Goelzer P, Portmann R, Asthappan J, Funk C, Smith PF.Clin Pharmacokinet. 2015 May;54(5):537-49. doi: 10.1007/s40262-014-0222-6. PMID: 25488594 </br>9:A pharmacokinetic/viral kinetic model to evaluate the treatment effectiveness of danoprevir against chronic HCV. Canini L, Chatterjee A, Guedj J, Lemenuel-Diot A, Brennan B, Smith PF, Perelson AS.Antivir Ther. 2015;20(5):469-77. doi: 10.3851/IMP2879. Epub 2014 Oct 16. PMID: 25321394 Free PMC Article</br>10:Randomized study of danoprevir/ritonavir-based therapy for HCV genotype 1 patients with prior partial or null responses to peginterferon/ribavirin. Feld JJ, Jacobson IM, Jensen DM, Foster GR, Pol S, Tam E, Jablkowski M, Berak H, Vierling JM, Yoshida EM, Perez-Gomez HR, Scalori A, Hooper GJ, Tavel JA, Navarro MT, Shahdad S, Kulkarni R, Le Pogam S, Nájera I, Eng S, Lim CY, Shulman NS, Yetzer ES.J Hepatol. 2015 Feb;62(2):294-302. doi: 10.1016/j.jhep.2014.09.013. Epub 2014 Sep 18. PMID: 25239078 |
