For research use only. Not for therapeutic Use.
Doravirine (Cat No.:I001287) is an effective HIV-1 non-nucleoside reverse transcriptase inhibitor (NNRTI). It inhibits the activity of reverse transcriptase, a key enzyme required for viral replication in HIV-1. Doravirine exhibits high potency, with IC50 values of 12 nM for wild-type reverse transcriptase and 9.7 nM for reverse transcriptase carrying specific mutations (K103N and Y181C). It is known for its specificity, targeting the viral enzyme with minimal off-target effects. Doravirine holds promise as a therapeutic option for the treatment of HIV-1 infection.
| Catalog Number | I001287 |
| CAS Number | 1338225-97-0 |
| Molecular Formula | C₁₇H₁₁ClF₃N₅O₃ |
| Purity | 98% |
| Target | HIV RT |
| Target Protein | P03366 |
| Solubility | DMSO |
| Appearance | Solid |
| Storage | Dry, dark and at 2 - 8 °C for six months or -20°C for two years. |
| IC50 | IC50: 4.5 nM (wild type reverse transcriptase); 5.5 nM ( K103N reverse transcriptase); 6.1 nM (Y181C reverse transcriptase) |
| IUPAC Name | 3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile |
| InChI | InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28) |
| InChIKey | ZIAOVIPSKUPPQW-UHFFFAOYSA-N |
| SMILES | CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F |
| Reference | </br>1:The Effect of Single and Multiple Doses of Rifampin on the Pharmacokinetics of Doravirine in Healthy Subjects. Yee KL, Khalilieh SG, Sanchez RI, Liu R, Anderson MS, Manthos H, Judge T, Brejda J, Butterton JR.Clin Drug Investig. 2017 Mar 28. doi: 10.1007/s40261-017-0513-4. [Epub ahead of print] PMID: 28353169 </br>2:The Effect of Food on Doravirine Bioavailability: Results from Two Pharmacokinetic Studies in Healthy Subjects. Behm MO, Yee KL, Liu R, Levine V, Panebianco D, Fackler P.Clin Drug Investig. 2017 Jun;37(6):571-579. doi: 10.1007/s40261-017-0512-5. PMID: 28349328 </br>3:Effect of gender and age on the relative bioavailability of doravirine: results of a Phase I trial in healthy subjects. Behm MO, Yee KL, Fan L, Fackler P.Antivir Ther. 2017 Feb 16. doi: 10.3851/IMP3142. [Epub ahead of print] PMID: 28206979 </br>4:Erratum to: A Two-Way Steady-State Pharmacokinetic Interaction Study of Doravirine (MK-1439) and Dolutegravir. Anderson MS, Khalilieh S, Yee KL, Liu R, Fan L, Rizk ML, Shah V, Hussaini A, Song I, Ross LL, Butterton JR.Clin Pharmacokinet. 2017 Jun;56(6):679-681. doi: 10.1007/s40262-017-0517-5. No abstract available. PMID: 28185217 </br>5:Unusual (+/-)-electrospray ionization induced fragmentation: Structural elucidation of an in-process synthetic intermediate of doravirine (MK-1439) using liquid chromatography/high-resolution tandem mass spectrometry and two-dimensional nuclear magnetic resonance. Sheng H, Lexa KW, Zhang LK, Yang RS, Wright TJ, Sherry BD, Helmy R, Martin GE.Rapid Commun Mass Spectrom. 2017 Apr 30;31(8):719-727. doi: 10.1002/rcm.7833. PMID: 28171682 </br>6:Moderate Hepatic Impairment Does Not Affect Doravirine Pharmacokinetics. Khalilieh S, Yee KL, Liu R, Fan L, Sanchez RI, Auger P, Triantafyllou I, Stypinski D, Lasseter KC, Marbury T, Iwamoto M.J Clin Pharmacol. 2017 Jun;57(6):777-783. doi: 10.1002/jcph.857. Epub 2016 Dec 27. PMID: 28026013 </br>7:Results of a Doravirine-Atorvastatin Drug-Drug Interaction Study. Khalilieh S, Yee KL, Sanchez RI, Triantafyllou I, Fan L, Maklad N, Jordan H, Martell M, Iwamoto M.Antimicrob Agents Chemother. 2017 Jan 24;61(2). pii: e01364-16. doi: 10.1128/AAC.01364-16. Print 2017 Feb. PMID: 27872071 </br>8:Evaluation of Doravirine Pharmacokinetics When Switching from Efavirenz to Doravirine in Healthy Subjects. Yee KL, Sanchez RI, Auger P, Liu R, Fan L, Triantafyllou I, Lai MT, Di Spirito M, Iwamoto M, Khalilieh SG.Antimicrob Agents Chemother. 2017 Jan 24;61(2). pii: e01757-16. doi: 10.1128/AAC.01757-16. Print 2017 Feb. PMID: 27872069 </br>9:A Two-Way Steady-State Pharmacokinetic Interaction Study of Doravirine (MK-1439) and Dolutegravir. Anderson MS, Khalilieh S, Yee KL, Liu R, Fan L, Rizk ML, Shah V, Hussaini A, Song I, Ross LL, Butterton JR.Clin Pharmacokinet. 2017 Jun;56(6):661-669. doi: 10.1007/s40262-016-0458-4. Erratum in: Clin Pharmacokinet. 2017 Jun;56(6):679-681. PMID: 27699622 </br>10:Characterization of impurities of HIV NNRTI Doravirine by UHPLC-high resolution MS and tandem MS analysis. Zhang LK, Yang R, Sheng H, Helmy R, Zheng J, Cao Y, Gauthier DR Jr.J Mass Spectrom. 2016 Oct;51(10):959-968. doi: 10.1002/jms.3807. PMID: 27383410 |
