For research use only. Not for therapeutic Use.
Etravirine-d4(Cat No.:S000320) is a deuterated form of etravirine, where four hydrogen atoms are replaced with deuterium. Etravirine is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in combination with other medications to treat HIV-1 infection. The incorporation of deuterium enhances the stability of the molecule, facilitating more precise pharmacokinetic and metabolic studies. This allows for a detailed analysis of how etravirine is absorbed, distributed, metabolized, and excreted, leading to a better understanding of its therapeutic effects and side effects.
Catalog Number | S000320 |
CAS Number | 1142095-93-9 |
Molecular Formula | C20H11D4BrN6O |
Purity | ≥95% |
IUPAC Name | 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]-2,3,5,6-tetradeuteriobenzonitrile |
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 |
SMILES | CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N |