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Description: Etravirine (also known as TMC125 and R 165335, ) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used for the treatment of HIV. It was also approved in 2008. Etravirine, in combination with other anti-retrovirals, is indicated for the treatment of human immunodeficiency virus type 1 (HIV-1) infection in antiretroviral treatment-experienced adult patients, who have evidence of viral replication and HIV-1 strains resistant to a NNRTI and other antiretroviral agents.
References: J Med Chem. 2004 May 6;47(10):2550-60; Antimicrob Agents Chemother. 2004 Dec;48(12):4680-6.
Chemical Name: 4-(6-Amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
InChi Key: PYGWGZALEOIKDF-UHFFFAOYSA-N
InChi Code: 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)
SMILES Code: N#CC1=CC(C)=C(OC2=NC(NC3=CC=C(C#N)C=C3)=NC(N)=C2Br)C(C)=C1
Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
This equation is commonly abbreviated as: C1V1 = C2V2
In vitro activity: Etravirine (TMC125), is highly active against wild-type HIV-1 with EC50 of 1.4 nM to 4.8 nM and shows some activity against HIV-2 with EC50 of 3.5 μM. TMC125 also inhibits a series of HIV-1 group M subtypes and circulating recombinant forms and a group O virus.
J Med Chem. 2004 May 6;47(10):2550-60; Antimicrob Agents Chemother. 2004 Dec;48(12):4680-6; Lancet. 2007 Jul 7;370(9581):39-48.
Purity ≥98%
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