Home Microbiology Reverse Transcriptase inhibitor Doravirine For research use only.

Doravirine

Synonyms: MK-1439

Doravirine is a novel HIV-1 nonnucleoside reverse transcriptase inhibitor with IC50 values of 12, 9.7, and 9.7 nM against the wild type (WT) and K103N and Y181C reverse transcriptase (RT) mutants, respectively, in a biochemical assay. It is highly specific with minimum off-target activities.

Doravirine Chemical Structure

Doravirine Chemical Structure

CAS No. 1338225-97-0

Purity & Quality Control

Batch: S649201 DMSO]85 mg/mL]false]Water]Insoluble]false]Ethanol]Insoluble]false Purity: 98.14%
98.14

Doravirine Related Products

Signaling Pathway

Reverse Transcriptase Signaling Pathways

Reverse Transcriptase Signaling Pathway

Biological Activity

Description Doravirine is a novel HIV-1 nonnucleoside reverse transcriptase inhibitor with IC50 values of 12, 9.7, and 9.7 nM against the wild type (WT) and K103N and Y181C reverse transcriptase (RT) mutants, respectively, in a biochemical assay. It is highly specific with minimum off-target activities.
Targets
K103N HIV-1 RT [1] Y181C HIV-1 RT [1] WT HIV-1 RT [1]
9.7 nM 9.7 nM 12 nM
In vitro
In vitro

MK-1439 exhibits greater than 10,000-fold selectivity with respect to the cellular DNA polymerases α, ß, and γ with IC50s of >100 μM. In the screen with more than 110 protein targets including enzymes, transporters, ion channels, and receptor, MK-1439 shows an IC50 of greater than 10 μM against all targets except 5-HT2ß, where an IC50 of 2.5 μM is noted in a ligand binding assay. However, the 5-HT2ß activity is not observed in a functional cell-based assay monitoring the accumulation of inositol-1-phosphate. Therefore, the binding activity does not appear to translate into a 5-HT2ß functional response. MK-1439 does not display cytotoxicity in activated CD4+ T cells, PBMCs, monocytes, macrophages proliferating transformed cell lines, such as MT4, SupT1, and HL60 cell lines at concentrations of up to 100 μM[1].
In Vivo
In vivo

In rats dosed IV at 1 mpk (60%PEG200), the clearance (CL) of MK-1439 is 5.4 mL/min/kg and the half time is 4.4 hr. Its volume of distribution (Vd) is 2.3 L/kg. The oral bioavailability of MK-1439 is 57% (doesed PO at 5 mpk). In dogs dosed IV at 0.5 mpk, the CL of MK-1439 is 0.36 mL/min/kg and half-time is 37 hr. The oral bioavailability of MK-1439 is 52% (doesed PO at 1 mpk). Overall, The pharmacokinetic profile of MK-1439 in preclinical species is favorable[2].
Animal Research Animal Models 60% PEG200 (IV); Ball-milled, 0.5% methocel (PO in rats); Ball-milled, 10% Tween (PO in dogs)
Dosages 1 mpk (IV in rats); 5 mpk (PO in rats); 0.5 mpk (IV in dogs); 1 mpk (PO in dogs)
Administration IV or PO
NCT Number Recruitment Conditions Sponsor/Collaborators Start Date Phases
NCT06155019 Recruiting
HIV Infections
Centre de Recherches et d''Etude sur la Pathologie Tropicale et le Sida
 December 15 2023 --
NCT05630638 Recruiting
HIV
University of Liverpool|Liverpool School of Tropical Medicine|Desmond Tutu Health Foundation
 October 10 2023 Phase 4
NCT05761509 Active not recruiting
HIV Infections
Institut de Médecine et d''Epidémiologie Appliquée - Fondation Internationale Léon M''Ba|Merck Sharp & Dohme LLC
 June 8 2023 --
NCT05536466 Not yet recruiting
HIV Infections|Bariatric Surgery Candidate
Radboud University Medical Center
 September 30 2022 Not Applicable
NCT04900974 Recruiting
HIV Infections|Pregnancy Related
University of North Carolina Chapel Hill|Merck Sharp & Dohme LLC
 June 9 2022 Phase 1

Chemical Information & Solubility

Molecular Weight 425.75 Formula

 C17H11C1F3N5O3

 
CAS No. 1338225-97-0 SDF --
Smiles CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F
Storage (From the date of receipt) 3 years -20°C powder

In vitro
Batch:

DMSO : 85 mg/mL ( (199.64 mM) Moisture-absorbing DMSO reduces solubility. Please use fresh DMSO.)

Water : Insoluble

Ethanol : Insoluble


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In vivo
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Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

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Tech Support

Answers to questions you may have can be found in the inhibitor handling instructions. Topics include how to prepare stock solutions, how to store inhibitors, and issues that need special attention for cell-based assays and animal experiments.

Handling Instructions

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