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PSI-352938

CAT: 0804-HY-15231Size: 1 EachDry Ice: NoHazardous: No
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Description
PSI-352938 (PSI-938) is a hepatitis C virus (HCV) nucleotide inhibitor[1].
CAS Number
1199809-32-9
Product Name Alternative
PSI-938
UNSPSC
12352005
Target
HCV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/PSI-352938.html
Solubility
10 mM in DMSO
Smiles
F[C@]1(C)[C@H](O[P@]2(OC(C)C)=O)[C@@H](CO2)O[C@H]1N3C(N=C(N)N=C4OCC)=C4N=C3
Molecular Formula
C16H23FN5O6P
Molecular Weight
431.36
References & Citations
[1]Lam AM, et al. Hepatitis C virus nucleotide inhibitors PSI-352938 and PSI-353661 exhibit a novel mechanism of resistance requiring multiple mutations within replicon RNA. J Virol. 2011 Dec;85 (23) :12334-42.|[2]Lam AM, et al. Inhibition of hepatitis C virus replicon RNA synthesis by PSI-352938, a cyclic phosphate prodrug of β-D-2'-deoxy-2'-α-fluoro-2'-β-C-methylguanosine. Antimicrob Agents Chemother. 2011 Jun;55 (6) :2566-75.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Psi-352938

PSI-352938 has been used in trials studying the treatment of Hepatitis C and Hepatitis C, Chronic.

CAS Number1199809-32-9
PubChem CID45102284
IUPAC Name9-[(2S,4aR,6R,7R,7aR)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine
Molecular FormulaC16H23FN5O6P
Molecular Weight431.36
XLogP0.7
Topological Polar Surface Area133
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity663
SMILES
CCOC1=NC(=NC2=C1N=CN2[C@H]3[C@]([C@H]4[C@H](O3)CO[P@](=O)(O4)OC(C)C)(C)F)N
InChI
InChI=1S/C16H23FN5O6P/c1-5-24-13-10-12(20-15(18)21-13)22(7-19-10)14-16(4,17)11-9(26-14)6-25-29(23,28-11)27-8(2)3/h7-9,11,14H,5-6H2,1-4H3,(H2,18,20,21)/t9-,11-,14-,16-,29+/m1/s1
InChIKey
PVRFQJIRERYGTQ-DSQUMVBZSA-N
Chemical Structure
2D Structure
2D structure of Psi-352938
CAS: 1199809-32-9
CID: 45102284
Formula: C16H23FN5O6P
MW: 431.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.36
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass431.13699863
Monoisotopic Mass431.13699863
Topological Polar Surface Area133 Ų
Heavy Atom Count29
Formal Charge0
Complexity663
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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