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ALG-000184

CAT: 0931-T204624-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T204624-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2495324-72-4
Target
HBV
Related Pathways
Microbiology/Virology
Bioactivity
ALG-000184, a prodrug of the potent HBV capsid assembly modulator ALG-001075, shows potential for use in HBV infection research.
Smiles
N#CC1=CC(NC(C2=C(C)C(C(C(N(C3(COC3)C#C)COP([O-])([O-])=O)=O)=O)=C(C)N2C)=O)=CC=C1F.[Na+].[Na+]
Molecular Formula
C23H20FN4Na2O8P
Molecular Weight
576.379
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pevifoscorvir Sodium
CAS Number2495324-72-4
PubChem CID155625942
IUPAC Namedisodium;[[2-[5-[(3-cyano-4-fluorophenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]-(3-ethynyloxetan-3-yl)amino]methyl phosphate
Molecular FormulaC23H20FN4Na2O8P
Molecular Weight576.4
Topological Polar Surface Area177
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity1060
SMILES
CC1=C(N(C(=C1C(=O)C(=O)N(COP(=O)([O-])[O-])C2(COC2)C#C)C)C)C(=O)NC3=CC(=C(C=C3)F)C#N.[Na+].[Na+]
InChI
InChI=1S/C23H22FN4O8P.2Na/c1-5-23(10-35-11-23)28(12-36-37(32,33)34)22(31)20(29)18-13(2)19(27(4)14(18)3)21(30)26-16-6-7-17(24)15(8-16)9-25;;/h1,6-8H,10-12H2,2-4H3,(H,26,30)(H2,32,33,34);;/q;2*+1/p-2
InChIKey
AZODBEIBQSHYDI-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Pevifoscorvir Sodium
CAS: 2495324-72-4
CID: 155625942
Formula: C23H20FN4Na2O8P
MW: 576.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass576.07981733
Monoisotopic Mass576.07981733
Topological Polar Surface Area177 Ų
Heavy Atom Count39
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

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HY-169993-01ALG-000184
HY-177022-01ALG-001075
HY-168046-01ALG-055009
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A24211-50ALG-055009 50mg
A24211-5ALG-055009 5mg
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sc-101209ALG-2 (AA8)

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