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AV5124

CAT: 0013-GTR19241196-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241196-03Size:10 mg
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Description
AV5124 is an orally bioavailable prodrug of the active compound AV5116, functioning as a potent inhibitor of the influenza virus cap-dependent endonuclease (CEN) . It is a valuable research tool for studying influenza virus replication and has demonstrated antiviral activity in both in vitro assays and in vivo animal models of influenza infection.
CAS Number
2417851-93-3
Field of Research
Infectious Disease & Virology
Smiles
O (COC (OC) =O) C1=C2N (N ([C@]3 (N (C2=O) CCOC3) [H]) [C@H]4C=5C (CSC6=C4SC=C6) =C (F) C (F) =CC5) C=CC1=O
Molecular Formula
C25H21F2N3O7S2
Molecular Weight
577.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tivoxavir marboxil
CAS Number2417851-93-3
PubChem CID155280058
IUPAC Name[(3R)-2-[(10S)-6,7-difluoro-5,10-dihydrothieno[3,2-c][2]benzothiepin-10-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
Molecular FormulaC25H21F2N3O7S2
Molecular Weight577.6
XLogP3.5
Topological Polar Surface Area151
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity1080
SMILES
COC(=O)OCOC1=C2C(=O)N3CCOC[C@H]3N(N2C=CC1=O)[C@H]4C5=C(CSC6=C4SC=C6)C(=C(C=C5)F)F
InChI
InChI=1S/C25H21F2N3O7S2/c1-34-25(33)37-12-36-22-16(31)4-6-29-21(22)24(32)28-7-8-35-10-18(28)30(29)20-13-2-3-15(26)19(27)14(13)11-39-17-5-9-38-23(17)20/h2-6,9,18,20H,7-8,10-12H2,1H3/t18-,20+/m1/s1
InChIKey
JFAAVTYPCCKWCW-QUCCMNQESA-N
Chemical Structure
2D Structure
2D structure of Tivoxavir marboxil
CAS: 2417851-93-3
CID: 155280058
Formula: C25H21F2N3O7S2
MW: 577.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.6
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass577.07889869
Monoisotopic Mass577.07889869
Topological Polar Surface Area151 Ų
Heavy Atom Count39
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19273225-01AV5116

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CatalogName
T203449AV5124

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