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Pradefovir

CAT: 0013-GTR19196696-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196696-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pradefovir (Remofovir) is a liver-targeted prodrug of adefovir developed for chronic hepatitis B virus (HBV) research. It is metabolically activated in the liver to the active reverse transcriptase inhibitor PMEA. This compound is utilized in both in vitro enzymatic studies and in vivo models of HBV infection to investigate targeted antiviral therapies.
CAS Number
625095-60-5
Product Name Alternative
Pradefovir, Remofovir, MB6866, MB-6866, MB06866, MB-06866, MB 6866, MB 06866, HBV, ICN20013, ICN-20013, ICN-2001-3, ICN 20013
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
97.50% (May vary between batches)
Solubility
DMSO:Soluble
Smiles
C (COCP1 (=O) O[C@@H] (CCO1) C2=CC (Cl) =CC=C2) N3C=4C (N=C3) =C (N) N=CN4
Molecular Formula
C17H19ClN5O4P
Molecular Weight
423.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pradefovir

Pradefovir is a prodrug of [adefovir].

CAS Number625095-60-5
PubChem CID9604654
IUPAC Name9-[2-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]ethyl]purin-6-amine
Molecular FormulaC17H19ClN5O4P
Molecular Weight423.8
XLogP1.1
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity576
SMILES
C1CO[P@@](=O)(O[C@@H]1C2=CC(=CC=C2)Cl)COCCN3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C17H19ClN5O4P/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21)/t14-,28+/m0/s1
InChIKey
GWNHAOBXDGOXRR-HJFSHJIFSA-N
Chemical Structure
2D Structure
2D structure of Pradefovir
CAS: 625095-60-5
CID: 9604654
Formula: C17H19ClN5O4P
MW: 423.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.8
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass423.0863188
Monoisotopic Mass423.0863188
Topological Polar Surface Area114 Ų
Heavy Atom Count28
Formal Charge0
Complexity576
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
462895-01Pradefovir
M27105-01Pradefovir mesylate
A21644-50Pradefovir mesylate 50mg
A21644-25Pradefovir mesylate 25mg
A21644-100Pradefovir mesylate 100mg
A21644-1Pradefovir mesylate 1mg
A21644-10Pradefovir mesylate 10mg
A21644-5Pradefovir mesylate 5mg

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