Pocapavir

Alias: Pocapavir; SCH-48973; SCH 48973; SCH48973; V-073; V 073; V073;

Cat No.:V2892 Purity: ≥98%

COA Product Data Instructions for use SDS

Pocapavir, formerly known as SCH-48973 and V-073, is a novel, potent, and selective antienterovirus agent that is under clinical investigation to treat neonatal enterovirus sepsis.

Pocapavir Chemical Structure CAS No.: 146949-21-5
Product category: Enterovirus

This product is for research use only, not for human use. We do not sell to patients.

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Major Universities, Research Institutions, Biotech & Pharma
Citations by Top Journals: Nature, Cell, Science, etc.

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: ≥98%

COA

MSDS

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Biological Data

Product Description

Pocapavir, formerly known as SCH-48973 and V-073, is a novel, potent, and selective antienterovirus agent that is under clinical investigation to treat neonatal enterovirus sepsis. Pocapavir acts as a capsid inhibitor by preventing virion uncoating upon entry into the cell. The patient was treated with the novel antiviral, pocapavir, in addition to a standard heart failure regimen. The dystrophic calcification persisted but the left ventricle remodeled significantly. This is the first reported use of pocapavir for this indication. Treatment with pocapavir was safe and significantly accelerated virus clearance. Emergence of resistant virus and transmission of virus were seen in the context of a clinical isolation facility.

Biological Activity I Assay Protocols (From Reference)

ln Vitro

In vitro activity: Pocapavir, formerly known as SCH-48973 and V-073, is a novel, potent, and selective antienterovirus agent that is under clinical investigation. Pocapavir acts as a capsid inhibitor by preventing virion uncoating upon entry into the cell. The patient was treated with the novel antiviral, pocapavir, in addition to a standard heart failure regimen. The dystrophic calcification persisted but the left ventricle remodeled significantly. This is the first reported use of pocapavir for this indication. Treatment with pocapavir was safe and significantly accelerated virus clearance. Emergence of resistant virus and transmission of virus were seen in the context of a clinical isolation facility.

Kinase Assay: Pocapavir belongs to a picornavirus antiviral mechanistic class called capsid inhibitors that block virus uncoating and viral RNA release into cells, which in turn prevents virus replication

Cell Assay: Pocapavir acts as a capsid inhibitor, preventing virion uncoating upon entry into the cell. Treatment with Pocapavir is safe and significantly accelerates virus clearance

ln Vivo

Pocapavir acts as a capsid inhibitor, preventing virion uncoating upon entry into the cell. Treatment with Pocapavir is safe and significantly accelerates virus clearance

Animal Protocol

References

J Infect Dis.2017 Feb 1;215(3):335-343;J Investig Med High Impact Case Rep.2017 Sep 14;5(3):2324709617729393.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula

C21H17CL3O3

Molecular Weight

423.72

Exact Mass

422.024

Elemental Analysis

C, 59.53; H, 4.04; Cl, 25.10; O, 11.33

CAS #

146949-21-5

Related CAS #

Pocapavir-d3

PubChem CID

1455

Appearance

White to off-white solid powder

Density

1.3±0.1 g/cm3

Boiling Point

541.4±45.0 °C at 760 mmHg

Flash Point

176.5±28.8 °C

Vapour Pressure

0.0±1.4 mmHg at 25°C

Index of Refraction

1.606

LogP

7.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Heavy Atom Count

Complexity

421

Defined Atom Stereocenter Count

SMILES

ClC1C([H])=C(C([H])=C([H])C=1OC([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])OC1C(=C([H])C([H])=C([H])C=1Cl)Cl)OC([H])([H])[H]

InChi Key

XXMDDBVNWRWNCW-UHFFFAOYSA-N

InChi Code

InChI=1S/C21H17Cl3O3/c1-25-16-9-10-20(19(24)11-16)26-12-14-5-7-15(8-6-14)13-27-21-17(22)3-2-4-18(21)23/h2-11H,12-13H2,1H3

Chemical Name

InChI=1S/C21H17Cl3O3/c1-25-16-9-10-20(19(24)11-16)26-12-14-5-7-15(8-6-14)13-27-21-17(22)3-2-4-18(21)23/h2-11H,12-13H2,1H3

Synonyms

Pocapavir; SCH-48973; SCH 48973; SCH48973; V-073; V 073; V073;

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)	DMSO : ~100 mg/mL (~236.00 mM)
Solubility (In Vivo)	Solubility in Formulation 1: ≥ 2.5 mg/mL (5.90 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.90 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. View More Solubility in Formulation 3: 10% DMSO+90% Corn Oil: ≥ 2.5 mg/mL (5.90 mM) (Please use freshly prepared in vivo formulations for optimal results.)

Solubility (In Vitro)

DMSO : ~100 mg/mL (~236.00 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.90 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (5.90 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

View More

Solubility in Formulation 3: 10% DMSO+90% Corn Oil: ≥ 2.5 mg/mL (5.90 mM)

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

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3600 mL	11.8002 mL	23.6005 mL
	5 mM	0.4720 mL	2.3600 mL	4.7201 mL
	10 mM	0.2360 mL	1.1800 mL	2.3600 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Mass

Concentration

Volume

Molecular Weight*

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

See Example

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.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

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

Molecular formula

Total molecular weight

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.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

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)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

Number of animals

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.)

% DMSO

% Tween 80

% ddH₂O

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.

Note： (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.

Biological Data

Transthoracic echocardiogram (parasternal long axis view at end-diastole), prior to pocapavir treatment, demonstrated a hyperechoic basal and mid-ventricular septum, papillary muscle, and posterior left ventricular (LV) wall.J Investig Med High Impact Case Rep.2017 Sep 14;5(3):2324709617729393.

Two-year follow-up transthoracic echocardiogram (parasternal long axis view at end-diastole) demonstrated myocardial thinning with left ventricular (LV) dilation but overall decrease in echogenicity; LV systolic function was moderately depressed.J Investig Med High Impact Case Rep.2017 Sep 14;5(3):2324709617729393.

(A) Chest radiograph anterior-posterior view demonstrated dystrophic calcification of left ventricular (LV) myocardium and papillary muscle 3 weeks into illness. (B) Noncontrast computed tomography (CT) coronal view. (C) Noncontrast CT axial view. (D) Noncontrast CT reformatted short axis view.J Investig Med High Impact Case Rep.2017 Sep 14;5(3):2324709617729393.