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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- Flavivirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Nipah virus
- Orthopoxvirus
- Others
- Rabies virus (RABV)
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
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- Vesicular stomatitis virus (VSV)
- Virus Protease
- West Nile virus
- Antiviral intermediates
Doravirine
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 1338225-97-0 |
| Description | Doravirine is a non-nucleoside reverse transcriptase inhibitor under development of Merck & Co. IC 50 value is 12 nM against the wild type, 21nM against K103N, 31 nM against Y181C, 33nM against K103N/Y181C mutant viruses in vitro. MK-1439 exhibited similar antiviral activities against 10 different HIV-1 subtype viruses. Phase III for the treatment of HIV-1 infections is on-going. |
Product Information
| Synonyms | MK-1439; MK 1439; MK1439; MK-1439-019;3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile |
| 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 |
| Molecular Weight | 425.75 |
| Molecular Formula | C17H11ClF3N5O3 |
| Canonical SMILES | Cn1c(n[nH]c1=O)Cn2ccc(c(c2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F |
| 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 |
| Purity | 98% |
| Density | 1.6±0.1 g/cm3 |
| Solubility | Soluble in DMSO |
| Appearance | Powder |
| Application | HIV-1 infections |
| Shelf Life | 2 month in rt, long time |
| Storage | -20°C Freezer |
| Complexity | 860 |
| Exact Mass | 425.0502514 |
| Index Of Refraction | 1.631 |
| In Vitro | Selectivity and cytotoxicity studies confirmed that Doravirine is a highly specific nonnucleoside reverse transcriptase inhibitors with minimum off-target activities. In the presence of 50% normal human serum (NHS), Doravirine shows excellent potency in suppressing the replication of WT virus, with a 95% effective concentration (EC95) of 20 nM, as well as K103N, Y181C, and K103N/Y181C mutant viruses with EC9595 of 43, 27, and 55 nM, respectively. Doravirine exhibits similar antiviral activities against 10 different HIV-1 subtype viruses (a total of 93 viruses). |
| In Vivo | Administration of 50 mg Doravirine with a high-fat meal is associated with slight elevations in AUC time zero to infinity and C24 h with no change in Cmax. |
| PSA | 105.96000 |
| Target | IC50: 4.5 nM (wild type reverse transcriptase); 5.5 nM ( K103N reverse transcriptase); 6.1 nM (Y181C reverse transcriptase). |
| XLogP3-AA | 2.1 |
