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AV5116

CAT: 0804-HY-177555-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-177555-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AV5116 is a cap-dependent endonuclease inhibitor (CENI) that binds to the active site of the cap-dependent endonuclease (CEN) located in the N-terminal domain of the polymerase acidic. AV5116 exhibits potent inhibitory activity against influenza viruses (influenza A, B, and C viruses) . AV5116 can be used for the study of influenza virus infections[1].
CAS Number
2417851-90-0
UNSPSC
12352005
Target
Endonuclease; Influenza Virus
Related Pathways
Anti-infection; Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Infection
Purity
99.57
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C1C(N(C=C2)N([C@]3([H])C4=C(SCC5=C(F)C(F)=CC=C53)C=CS4)[C@@]6([H])N1CCOC6)=C(O)C2=O
Molecular Formula
C22H17F2N3O4S2
Molecular Weight
489.51
References & Citations
[1]Chesnokov A, et al. Influenza C virus susceptibility to antivirals with different mechanisms of action. Antimicrob Agents Chemother. 2024 May 2;68 (5) :e0172723.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tivoxavir
CAS Number2417851-90-0
PubChem CID155280017
IUPAC Name(3R)-2-[(10S)-6,7-difluoro-5,10-dihydrothieno[3,2-c][2]benzothiepin-10-yl]-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
Molecular FormulaC22H17F2N3O4S2
Molecular Weight489.5
XLogP3.3
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Heavy Atom Count33
Formal Charge0
Complexity920
SMILES
C1COC[C@@H]2N1C(=O)C3=C(C(=O)C=CN3N2[C@H]4C5=C(CSC6=C4SC=C6)C(=C(C=C5)F)F)O
InChI
InChI=1S/C22H17F2N3O4S2/c23-13-2-1-11-12(17(13)24)10-33-15-4-8-32-21(15)18(11)27-16-9-31-7-6-25(16)22(30)19-20(29)14(28)3-5-26(19)27/h1-5,8,16,18,29H,6-7,9-10H2/t16-,18+/m1/s1
InChIKey
XDFPXYDGMBNUSV-AEFFLSMTSA-N
Chemical Structure
2D Structure
2D structure of Tivoxavir
CAS: 2417851-90-0
CID: 155280017
Formula: C22H17F2N3O4S2
MW: 489.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Exact Mass489.06285470
Monoisotopic Mass489.06285470
Topological Polar Surface Area127 Ų
Heavy Atom Count33
Formal Charge0
Complexity920
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

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CatalogName
GTR19273225-01AV5116

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