Pocapavir
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MedKoo CAT#: 319719

CAS#: 146949-21-5

Description: Pocapavir, also known as SCH-48973 and V-073, is a potent, selective, antienterovirus agent. SCH-48973 had antiviral activity (50% inhibitory concentrations [IC50s]) of 0.02 to 0.11 microg/ml, with no detectable cytotoxicity at 50 microg/ml. SCH-48973 inhibited 80% of 154 recent human enterovirus isolates at an IC50 of 0.9 microg/ml. The affinity constant (Ki) for SCH-48973 binding to poliovirus was 8.85 x 10(-8) M. SCH-48973 demonstrated efficacy in a murine poliovirus model of enterovirus disease. SCH-48973 represents a potential candidate for therapeutic intervention against enterovirus infections.

Chemical Structure

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Pocapavir
CAS# 146949-21-5
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 319719
Name: Pocapavir
CAS#: 146949-21-5
Chemical Formula: C21H17Cl3O3
Exact Mass: 422.02
Molecular Weight: 423.710
Elemental Analysis: C, 59.53; H, 4.04; Cl, 25.10; O, 11.33

Price and Availability

Size Price Availability Quantity
10mg USD 125 Ready to ship
25mg USD 250 Ready to ship
50mg USD 450 Ready to ship
100mg USD 750 Ready to ship
200mg USD 1250 Ready to ship
500mg USD 1950 Ready to ship
1g USD 2650 Ready to ship
2g USD 3950 Ready to ship
5g USD 6950 2 weeks
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Synonym: SCH-48973; SCH48973; SCH 48973; V074; V 073; V-073; Pocapavir.

IUPAC/Chemical Name: 1,3-dichloro-2-((4-((2-chloro-4-methoxyphenoxy)methyl)benzyl)oxy)benzene

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

SMILES Code: ClC1=C(OCC2=CC=C(COC3=CC=C(OC)C=C3Cl)C=C2)C(Cl)=CC=C1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target: Pocapavir (SCH-48973, V-073) is an inhibitor of investigational enterovirus (EV) capsid.
In vitro activity: To assess the spectrum of antipoliovirus activity of V-073, a panel of 45 polioviruses was assembled and evaluated in a cell culture cytopathic effect assay. The panel consisted of viruses from all three poliovirus serotypes and included wild reference strains. The assay for drug susceptibility measured protection by the drug of an LLC-MK2 cell monolayer from the virus replication-induced cytopathic effect. The 50% effective concentration (EC50) values for the 45 individual viruses, as determined from seven-point concentration curves using a four-parameter curve-fitting program (SoftMax Pro; Molecular Devices), are provided in Table 1. V-073 was active against all viruses in this panel, with EC50s ranging from 0.003 μM to 0.126 μM. The distribution of drug susceptibilities among these 45 polioviruses is depicted in Fig. 2. Ninety percent of all polioviruses tested were inhibited by V-073 at EC50s of ≤0.076 μM (MIC90 = 76 nM; 32 ng/ml). In Table Table2,2, the mean EC50s for the various categories of polioviruses are provided. There appears to be no bias in the activity of V-073 among these virus groupings. Reference: Antimicrob Agents Chemother. 2009 Oct;53(10):4501-3. https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/19635956/
In vivo activity: For mice infected with poliovirus type 2 and treated (beginning either 6 or 24 h after infection) with SCH 48973 at 20 mg/kg/day, there was a significant reduction (1 to 2 logs) in the titer of virus recovered from the brains 2 days after infection (Table 2). The difference between the two regimens (6 and 24 h) was not significant. When brains from noninfected, SCH 48973-treated mice were removed, homogenized, diluted, and inoculated in vitro with known quantities of virus, no reduction of viral plaques compared to the input inoculum was observed (data not shown). These results indicate that the reduction in viral load in brains is due to a direct effect of SCH 48973 in vivo and not due to compound carryover into the tissue culture system. Reference: Antimicrob Agents Chemother. 1997 Jun;41(6):1220-5. https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/9174174/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 100.0 236.00

Preparing Stock Solutions

The following data is based on the product molecular weight 423.71 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol: 1. Oberste MS, Moore D, Anderson B, Pallansch MA, Pevear DC, Collett MS. In vitro antiviral activity of V-073 against polioviruses. Antimicrob Agents Chemother. 2009 Oct;53(10):4501-3. doi: 10.1128/AAC.00671-09. Epub 2009 Jul 27. PMID: 19635956; PMCID: PMC2764203. 2. Buontempo PJ, Cox S, Wright-Minogue J, DeMartino JL, Skelton AM, Ferrari E, Albin R, Rozhon EJ, Girijavallabhan V, Modlin JF, O'Connell JF. SCH 48973: a potent, broad-spectrum, antienterovirus compound. Antimicrob Agents Chemother. 1997 Jun;41(6):1220-5. doi: 10.1128/AAC.41.6.1220. PMID: 9174174; PMCID: PMC163890.
In vivo protocol: 1. Buontempo PJ, Cox S, Wright-Minogue J, DeMartino JL, Skelton AM, Ferrari E, Albin R, Rozhon EJ, Girijavallabhan V, Modlin JF, O'Connell JF. SCH 48973: a potent, broad-spectrum, antienterovirus compound. Antimicrob Agents Chemother. 1997 Jun;41(6):1220-5. doi: 10.1128/AAC.41.6.1220. PMID: 9174174; PMCID: PMC163890.

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1: McKinlay MA, Collett MS, Hincks JR, Oberste MS, Pallansch MA, Okayasu H, Sutter RW, Modlin JF, Dowdle WR. Progress in the development of poliovirus antiviral agents and their essential role in reducing risks that threaten eradication. J Infect Dis. 2014 Nov 1;210 Suppl 1:S447-53. doi: 10.1093/infdis/jiu043. Review. PubMed PMID: 25316866.

2: Torres-Torres S, Myers AL, Klatte JM, Rhoden EE, Oberste MS, Collett MS, McCulloh RJ. First use of investigational antiviral drug pocapavir (v-073) for reating neonatal enteroviral sepsis. Pediatr Infect Dis J. 2015 Jan;34(1):52-4. doi: 10.1097/INF.0000000000000497. PubMed PMID: 25229269.

3: Liu HM, Roberts JA, Moore D, Anderson B, Pallansch MA, Pevear DC, Collett MS, Oberste MS. Characterization of poliovirus variants selected for resistance to the antiviral compound V-073. Antimicrob Agents Chemother. 2012 Nov;56(11):5568-74. doi: 10.1128/AAC.00539-12. Epub 2012 Aug 13. PubMed PMID: 22890765; PubMed Central PMCID: PMC3486616.


4: Lentz KN, Smith AD, Geisler SC, Cox S, Buontempo P, Skelton A, DeMartino J, Rozhon E, Schwartz J, Girijavallabhan V, O'Connell J, Arnold E. Structure of poliovirus type 2 Lansing complexed with antiviral agent SCH48973: comparison of the structural and biological properties of three poliovirus serotypes. Structure. 1997 Jul 15;5(7):961-78. PubMed PMID: 9261087.

5: Buontempo PJ, Cox S, Wright-Minogue J, DeMartino JL, Skelton AM, Ferrari E, Albin R, Rozhon EJ, Girijavallabhan V, Modlin JF, O'Connell JF. SCH 48973: a potent, broad-spectrum, antienterovirus compound. Antimicrob Agents Chemother. 1997 Jun;41(6):1220-5. PubMed PMID: 9174174; PubMed Central PMCID: PMC163890.