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Sofosbuvir

CAT: 0931-T6676-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T6676-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1190307-88-0
Target
HCV Protease
Related Pathways
Proteases/Proteasome, Microbiology/Virology
Purity
0.9993
Bioactivity
Sofosbuvir (GS 7977) is a uridine monophosphate analog inhibitor of hepatitis C virus (HCV) polymerase NS5B that is used as an antiviral agent in the treatment of chronic hepatitis C.
Smiles
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1
Molecular Formula
C22H29FN3O9P
Molecular Weight
529.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sofosbuvir

Sofosbuvir is a nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection. It has a role as an antiviral drug, a prodrug and a hepatitis C protease inhibitor. It is a phosphoramidate ester, an isopropyl ester, an organofluorine compound, a nucleotide conjugate and a L-alanyl ester. It is functionally related to a uridine 5'-monophosphate.

CAS Number1190307-88-0
PubChem CID45375808
IUPAC Namepropan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular FormulaC22H29FN3O9P
Molecular Weight529.5
XLogP1
Topological Polar Surface Area153
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity913
SMILES
C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3
InChI
InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1
InChIKey
TTZHDVOVKQGIBA-IQWMDFIBSA-N
Chemical Structure
2D Structure
2D structure of Sofosbuvir
CAS: 1190307-88-0
CID: 45375808
Formula: C22H29FN3O9P
MW: 529.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.5
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass529.16254467
Monoisotopic Mass529.16254467
Topological Polar Surface Area153 Ų
Heavy Atom Count36
Formal Charge0
Complexity913
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RM-S060200-01Sofosbuvir
AR-S01685-01Sofosbuvir Impurity 37 (Sofosbuvir Isomer)
TZC13506-01Sofosbuvir d6
CS-O-10984Sofosbuvir-d6

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