1142096-06-7

1142096-06-7 structure
1142096-06-7 structure
  • Name: Etravirine-d6
  • Chemical Name: 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-2,6-dideuterio-3,5-bis(trideuteriomethyl)benzonitrile
  • CAS Number: 1142096-06-7
  • Molecular Formula: C20H7BrD8N6O
  • Molecular Weight: 443.32600
  • Catalog: Signaling Pathways Anti-infection HIV
  • Create Date: 2017-12-18 19:46:39
  • Modify Date: 2024-01-14 17:55:14
  • Etravirine-d8 (R165335-d8) is the deuterium labeled Etravirine. Etravirine (R165335) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used for the treatment of HIV[1][2].

Name 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-2,6-dideuterio-3,5-bis(trideuteriomethyl)benzonitrile
Synonyms Etravirine-d8
TMC 125-d8
Description Etravirine-d8 (R165335-d8) is the deuterium labeled Etravirine. Etravirine (R165335) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used for the treatment of HIV[1][2].
Related Catalog
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[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

[2]. Andries, K., et al. TMC125, a novel next-generation nonnucleoside reverse transcriptase inhibitor active against nonnucleoside reverse transcriptase inhibitor-resistant human immunodeficiency virus type 1. Antimicrob Agents Chemother, 2004. 48(12): p. 468

[3]. Lazzarin, A., et al. Efficacy and safety of TMC125 (etravirine) in treatment-experienced HIV-1-infected patients in DUET-2: 24-week results from a randomised, double-blind, placebo-controlled trial. Lancet, 2007. 370(9581): p. 39-48.

Molecular Formula C20H7BrD8N6O
Molecular Weight 443.32600
Exact Mass 442.09900
PSA 120.64000
LogP 5.37156