-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
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- Endogenous Metabolite
- Enterovirus (EV)
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- Human immunodeficiency Virus (HIV)
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- West Nile virus
- Antiviral intermediates
Etravirine-[d4]
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 1142095-93-9 |
| Description | Etravirine-[d4] is the labelled analogue of Etravirine, which is a drug used for the treatment of HIV and a non-nucleoside reverse transcriptase inhibitor (NNRTI). |
Product Information
| Synonyms | Etravirine D4; 4-[[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-benzonitrile-d4; Intelence-d4; R 165335-d4; TMC 125-d4 |
| IUPAC Name | 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]-2,3,5,6-tetradeuteriobenzonitrile |
| Molecular Weight | 439.30 |
| Molecular Formula | C20H11D4BrN6O |
| 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)/i3D,4D,5D,6D |
| InChIKey | PYGWGZALEOIKDF-LNFUJOGGSA-N |
| Purity | 98% |
| Solubility | Soluble in DMSO (Slightly), Methanol (Slightly, Heated, Sonicated) |
| Appearance | Off-white Solid |
| Application | The labeled form of Etravirine is an inhibitor of HIV reverse transcriptase and could be used in the treatment of HIV infection. |
| Shelf Life | As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly |
| Storage | Store at -20°C |
| Complexity | 609 |
| Exact Mass | 438.07418 |
| PSA | 120.64000 |
| Target | Reverse Transcriptase; HIV |
| XLogP3-AA | 4.5 |
