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Doravirine Reverse Transcriptase inhibitor

Name: Doravirine
Brand: Selleck Chemicals
SKU: S6492
Availability: InStock
Rating: 5 (2 reviews)

Cat.No.S6492

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.

Chemical Structure

Molecular Weight: 425.75

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Quality Control

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

Cited in Nature Medicine for its top-tier quality
COA
NMR
HPLC
SDS/MSDS
Datasheet

98.14

Related Targets	Integrase Bacterial Antibiotics Anti-infection Fungal Antiviral COVID-19 Parasite HIV HCV Protease
Other Reverse Transcriptase Inhibitors	Dapivirine (TMC120) Fangchinoline 3'-Fluoro-3'-deoxythymidine (Alovudine) Salicylanilide Bifendate Ulonivirine Islatravir Lersivirine (UK-453061) 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride

Solubility

In vitro
Batch:

DMSO : 85 mg/mL (199.64 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Water : Insoluble

Ethanol : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	2.125mg/ml (4.99mM)	Taking the 1 mL working solution as an example, add 50 μL of 42.5 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.
Clear solution	5% DMSO 1 95% Corn oil Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	0.700mg/ml (1.64mM)	Taking the 1 mL working solution as an example, add 50 μL of 14 mg/ml clear DMSO stock solution to 950 μL of corn oil and mix evenly. The mixed solution should be used immediately for optimal results.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg

Average weight of animals: g

Dosing volume per animal: μL

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Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO

% Tween 80

% ddH₂O

% DMSO

Calculation results:

Working concentration: mg/ml;

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.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Chemical Information, Storage & Stability

Molecular Weight	425.75	Formula	C₁₇H₁₁C₁F₃N₅O₃	Storage (From the date of receipt)	3 years -20°C powder
CAS No.	1338225-97-0	--		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	MK-1439			SMILES	CN1C(=NNC1=O)CN2C=CC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F

Read more about storage stability stock solution CAS number SMILES

Mechanism of Action

Targets/IC₅₀/Ki	K103N HIV-1 RT 9.7 nM Y181C HIV-1 RT 9.7 nM WT HIV-1 RT 12 nM
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.
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.
References	[1] https://pubmed.ncbi.nlm.nih.gov/24379202/ [2] https://pubmed.ncbi.nlm.nih.gov/24412110/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2025-12-23)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT04776252	ACTIVE_NOT_RECRUITING	HIV-1 Infection	Merck Sharp & Dohme LLC	2021-09-15	PHASE3
NCT04375800	RECRUITING	Human Immunodeficiency Virus (HIV) Infection	Merck Sharp & Dohme LLC	2021-02-03	PHASE2
NCT05630638	RECRUITING	HIV	University of Liverpool	2023-10-10	PHASE4
NCT07357584	NOT_YET_RECRUITING	HIV-1-infection	Fundación Huésped	2026-07-13	PHASE4
NCT06203132	RECRUITING	HIV-1-infection	ANRS, Emerging Infectious Diseases	2025-01-27	PHASE3
NCT07673965	NOT_YET_RECRUITING	HIV (Human Immunodeficiency Virus); Sleep	University of Witwatersrand, South Africa	2026-08-20	PHASE4

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