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Doravirine 13C6

Chemical Name Doravirine 13C6
CAT No. CS-EK-02530
CAS Registry# 1338225-97-0 unlabeled
Status Under Certification (Usually dispatched in 5 days)
Category Stable Isotopes
Mol. Wt. 431.7 g/mol
Mol. For. C1113C6H11ClF3N5O3
Hazardous This is not a Hazardous Compound
COA View Sample COA

Additional Information


Controlled No
Parent API Doravirine
Canonical Smiles CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F
InchIKey ZIAOVIPSKUPPQW-UHFFFAOYSA-N
Inchl InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)
IUPAC 3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile
Hazardous No


Usage and description


[13C6]-Doravirine is a potent non-nucleoside reverse transcriptase inhibitor (NNRTI) used in the treatment of HIV-1 infection. It is a modified form of Doravirine, a drug approved by the FDA in 2018 for use in combination with other antiretroviral agents in adults with HIV-1 infection who have no prior antiretroviral treatment history. [13C6]-Doravirine contains six carbon-13 isotopes, which can be used in pharmacokinetic studies to analyze drug metabolism, absorption, and distribution in the body. This is because the presence of carbon-13 isotopes allows for the differentiation of [13C6]-Doravirine from other forms of Doravirine in biological samples, such as blood or urine. The chemical structure of [13C6]-Doravirine consists of a benzoxazole ring, a pyridine ring, and a cyclopropylamine moiety. It works by binding to the reverse transcriptase enzyme, which is essential for the replication of HIV-1, and inhibiting its activity. This prevents the virus from multiplying and spreading throughout the body, thus reducing the viral load and slowing the progression of HIV-1 infection. Clinical trials have shown that [13C6]-Doravirine is effective in reducing HIV-1 viral load and increasing CD4 cell counts in patients with HIV-1 infection. It is typically administered orally, once daily, and can be taken with or without food. As with any medication, [13C6]-Doravirine may cause side effects, such as headache, nausea, and fatigue, and should only be used under the supervision of a healthcare provider.

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