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Pocapavir

CAT: 0013-GTR19160505-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160505-02Size:500 mg
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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. (In Vitro) :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.
CAS Number
146949-21-5
Product Name Alternative
SCH-48973 | SCH48973 | SCH 48973 | V074
Purity
>98% (HPLC)
Solubility
DMSO : 100 mg/mL. 236.00 mM; H2O : < 0.1 mg/mL
Smiles
COc1ccc (OCc2ccc (COc3c (Cl) cccc3Cl) cc2) c (Cl) c1
Molecular Formula
C21H17Cl3O3
Molecular Weight
423.72
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1,3-dichloro-2- ((4- ((2-chloro-4-methoxyphenoxy) methyl) benzyl) oxy) benzene

Chemical Information

Pocapavir
CAS Number146949-21-5
PubChem CID1455
IUPAC Name1,3-dichloro-2-[[4-[(2-chloro-4-methoxyphenoxy)methyl]phenyl]methoxy]benzene
Molecular FormulaC21H17Cl3O3
Molecular Weight423.7
XLogP6.7
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity421
SMILES
COC1=CC(=C(C=C1)OCC2=CC=C(C=C2)COC3=C(C=CC=C3Cl)Cl)Cl
InChI
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
InChIKey
XXMDDBVNWRWNCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pocapavir
CAS: 146949-21-5
CID: 1455
Formula: C21H17Cl3O3
MW: 423.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.7
XLogP36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass422.024327
Monoisotopic Mass422.024327
Topological Polar Surface Area27.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-104074-01Pocapavir
HY-104074SPocapavir-d3
MBS3842797-01Pocapavir (SCH-48973)
A18331-200Pocapavir (SCH-48973) 200mg
A18331-25Pocapavir (SCH-48973) 25mg
A18331-10Pocapavir (SCH-48973) 10mg
A18331-50Pocapavir (SCH-48973) 50mg
A18331-5Pocapavir (SCH-48973) 5mg
A18331-100Pocapavir (SCH-48973) 100mg
A18331-10mM-DPocapavir (SCH-48973) 10mM * 1mL in DMSO

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