-
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
- Tobacco mosaic virus (TMV)
- Vesicular stomatitis virus (VSV)
- Virus Protease
- West Nile virus
- Antiviral intermediates
Etravirine-[d6]
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 1142096-06-7 |
| Description | Etravirine-[d6] is the labelled analogue of Etravirine. Etravirine is a drug used for the treatment of HIV. Etravirine is a non-nucleoside reverse transcriptase inhibitor. |
Product Information
| Synonyms | Etravirine-d6; 4-[[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-(dimethyl-d6)benzonitrile; Intelence-d6; R 165335-d6; TMC 125-d6 |
| IUPAC Name | 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-bis(trideuteriomethyl)benzonitrile |
| Molecular Weight | 441.35 |
| Molecular Formula | C20H9D6BrN6O |
| Canonical SMILES | CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N |
| InChI | InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)/i1D3,2D3 |
| InChIKey | PYGWGZALEOIKDF-WFGJKAKNSA-N |
| Purity | >95% |
| Solubility | Soluble in Acetone, DMSO, Chloroform, Methanol |
| Appearance | White to Off-white Solid |
| Application | A novel labelled HIV reverse transcriptase inhibitor useful in treatment of HIV infection. |
| Storage | Store at-20°C |
| Complexity | 609 |
| Exact Mass | 442.09929 |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs. |
| PSA | 120.64000 |
| Target | Reverse Transcriptase; HIV |
| XLogP3-AA | 4.5 |
