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Molnupiravir-d7 (EIDD-2801-d7; MK-4482-d7)

Cat No.:V76756 Purity: ≥98%
Molnupiravir-d7 is a deuterated marker of Molnupiravir.
Molnupiravir-d7 (EIDD-2801-d7; MK-4482-d7)
Molnupiravir-d7 (EIDD-2801-d7; MK-4482-d7) Chemical Structure Product category: SARS-CoV
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
Other Sizes

Other Forms of Molnupiravir-d7 (EIDD-2801-d7; MK-4482-d7):

  • N-Butyl molnupiravir
  • Molnupiravir (EIDD-2801, MK-4482)
  • Molnupiravir (EIDD-2801; MK-4482)
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Molnupiravir-d7 is a deuterated marker of Molnupiravir. Molnupiravir (EIDD-2801) is the orally bioavailable isopropyl ester prodrug of the ribonucleoside analog EIDD-1931. Molnupiravir shows broad activity against influenza viruses and coronaviruses, such as COVID-19, MERS-CoV, and SARS-CoV. Molnupiravir has potential for COVID-19 and seasonal, pandemic influenza.
Molnupiravir-d7 (EIDD-2801-d7; MK-4482-d7) is the deuterium-labeled version of Molnupiravir, an orally bioavailable isopropyl ester prodrug of the ribonucleoside analog EIDD-1931 (N4-hydroxycytidine). The deuterium label (7 deuterium atoms) serves as an internal standard for the quantification of Molnupiravir by LC-MS.
Biological Activity I Assay Protocols (From Reference)
Targets
Molnupiravir-d7 targets the same molecular entity as non-deuterated Molnupiravir: the viral RNA-dependent RNA polymerase (RdRp). Molnupiravir is metabolized to its active form, EIDD-1931 triphosphate, which is incorporated into viral RNA by RdRp, leading to error catastrophe through the accumulation of lethal mutations in the viral genome.
ln Vitro
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as tracers for quantification throughout the drug development process. Due to its potential to alter the pharmacokinetic and metabolic characteristics of medications, deuteration has drawn attention[3].
Molnupiravir-d7 itself is an analytical standard with no biological activity of its own. The non-deuterated parent, Molnupiravir, has broad-spectrum antiviral activity against influenza virus and multiple coronaviruses, including SARS-CoV-2, MERS-CoV, and SARS-CoV. In vitro, it inhibits SARS-CoV-2 replication with EC50 values in the low micromolar range.
ln Vivo
Molnupiravir-d7 is not a therapeutic agent. The non-deuterated parent, Molnupiravir, is an orally bioavailable prodrug with proven in vivo efficacy. In animal models (mice, ferrets), Molnupiravir reduces viral load in lung tissue, prevents transmission, and improves survival. It has received emergency use authorization and full approval in multiple countries for the treatment of COVID-19.
Enzyme Assay
Not applicable. As a deuterated internal standard, Molnupiravir-d7 is not used in primary enzyme/receptor assays. The non-deuterated parent is a well-characterized RdRp inhibitor. Standard RdRp inhibition assays involve measuring RNA synthesis by recombinant SARS-CoV-2 RdRp complex in the presence of N4-hydroxycytidine triphosphate (the active form) to assess inhibition.
Cell Assay
Not applicable. Molnupiravir-d7 is not used directly in cell-based assays. The non-deuterated parent is evaluated in antiviral assays: Vero E6 or other susceptible cells are infected with SARS-CoV-2 at MOI 0.01-0.1, treated with serial dilutions of Molnupiravir (0.1-100 microM) for 24-48 hours, and viral replication is measured by RT-qPCR, plaque reduction, or CPE assay to determine EC50.
Animal Protocol
For in vivo studies, Molnupiravir-d7 is spiked into biological samples (plasma, tissue homogenates) as an internal standard prior to sample processing for LC-MS analysis. The non-deuterated parent is administered orally to animal models or patients (e.g., 800 mg twice daily for 5 days in humans). Standard protocols for testing in vivo efficacy involve administering Molnupiravir to SARS-CoV-2-infected mice or ferrets by oral gavage.
ADME/Pharmacokinetics
Molnupiravir-d7 is a stable isotopically labeled compound intended for use as an internal standard for the quantification of Molnupiravir by LC-MS. The non-deuterated parent, Molnupiravir (EIDD-2801), has a molecular weight of 329.31. It is orally bioavailable with an elimination half-life of approximately 1-2 hours in humans. It is extensively metabolized to its active form, EIDD-1931.
Toxicity/Toxicokinetics
Molnupiravir-d7 is not intended for therapeutic use; its toxicity is not assessed directly. The non-deuterated parent, Molnupiravir, has a favorable safety profile in clinical trials. Common adverse effects include diarrhea (2%), nausea (1%), and dizziness (1%). Preclinical toxicology studies have shown no genotoxicity or carcinogenicity at therapeutic doses. It is contraindicated during pregnancy (potential fetal harm).
References

[1]. An orally bioavailable broad-spectrum antiviral inhibits SARS-CoV-2 in human airway epithelial cell cultures and multiple coronaviruses in mice. Sci Transl Med. 2020 Apr 6. pii: eabb5883.

[2]. Characterization of orally efficacious influenza drug with high resistance barrier in ferrets and human airway epithelia. Sci Transl Med. 2019 Oct 23;11(515). pii: eaax5866.

[3]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

Additional Infomation
Molnupiravir-d7 is a research-grade isotopically labeled internal standard. Its non-deuterated parent drug, Molnupiravir (Lagevrio), is an FDA-approved prescription medicine for the treatment of mild-to-moderate COVID-19 in adults at high risk for progression to severe disease. It is the first orally available direct-acting antiviral for COVID-19. This deuterated product is for laboratory research use in analytical method development and pharmacokinetic studies, not for human administration.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C13H12D7N3O7
Related CAS #
Molnupiravir;2492423-29-5
Appearance
Typically exists as solid at room temperature
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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