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ALG-000184

CAT: 0013-GTR19250043-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250043-02Size:50 mg
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Description
ALG-000184 is the prodrug form of the HBV capsid assembly modulator ALG-001075. This small molecule is a research tool for studying Hepatitis B virus infection, with demonstrated activity in both in vitro antiviral assays and in vivo preclinical models.
CAS Number
2495324-72-4
Field of Research
Infectious Disease & Virology
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
Storage Conditions
-20°C
Notes
For research use only.

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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