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Adefovir

CAT: 0931-T7447-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T7447-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106941-25-7
Target
Reverse Transcriptase, HBV, Telomerase
Related Pathways
Microbiology/Virology, DNA Damage/DNA Repair
Purity
>99.99%
Bioactivity
Adefovir is an acyclic nucleoside phosphonate that acts as a reverse transcriptase inhibitor used for treatment of hepatitis B and herpes simplex virus infection.
Smiles
NC1=NC=NC2=C1N=CN2CCOCP(O)(O)=O
Molecular Formula
C8H12N5O4P
Molecular Weight
273.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adefovir

Adefovir is a member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. It has a role as an antiviral drug, a drug metabolite, a nephrotoxic agent, a HIV-1 reverse transcriptase inhibitor and a DNA synthesis inhibitor. It is a member of 6-aminopurines, an ether and a member of phosphonic acids. It is functionally related to an adenine. It is a conjugate acid of an adefovir(1-).

CAS Number106941-25-7
PubChem CID60172
IUPAC Name2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid
Molecular FormulaC8H12N5O4P
Molecular Weight273.19
XLogP-2
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity327
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N
InChI
InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
InChIKey
SUPKOOSCJHTBAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adefovir
CAS: 106941-25-7
CID: 60172
Formula: C8H12N5O4P
MW: 273.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.19
XLogP3-2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass273.06269088
Monoisotopic Mass273.06269088
Topological Polar Surface Area136 Ų
Heavy Atom Count18
Formal Charge0
Complexity327
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
A0859Q-01Adefovir

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