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Baloxavir (Standard)

CAT: 0804-HY-109025AR-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-109025AR-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Baloxavir (Standard) is the analytical standard of Baloxavir. This product is intended for research and analytical applications. Baloxavir (Baloxavir acid), derived from the proagent Baloxavir marboxil, is a first-in-class, potent and selective cap-dependent endonuclease (CEN) inhibitor within the polymerase PA subunit of influenza A and B viruses. Baloxavir inhibits viral RNA transcription and replication and has potently antiviral activity[1][2].
CAS Number
1985605-59-1
Product Name Alternative
Baloxavir acid (Standard) ; S-033447 (Standard)
UNSPSC
12352005
Target
Influenza Virus; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/baloxavir-standard.html
Smiles
O=C1N2[C@](COCC2)([H])N([C@@H]3C4=CC=CC=C4SCC5=C(F)C(F)=CC=C35)N6C1=C(O)C(C=C6)=O
Molecular Formula
C24H19F2N3O4S
Molecular Weight
483.49
References & Citations
[1]Omoto S, et al. Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil. Sci Rep. 2018 Jun 25;8 (1) :9633.|[2]Noshi T, et al. In vitro characterization of baloxavir acid, a first-in-class cap-dependent endonuclease inhibitor of the influenza virus polymerase PA subunit. Antiviral Res. 2018 Dec;160:109-117.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Baloxavir

Baloxavir is under investigation in clinical trial NCT04327791 (Combination Therapy With Baloxavir and Oseltamavir 1 for Hospitalized Patients With Influenza (The COMBO Trial 1)).

CAS Number1985605-59-1
PubChem CID124081876
IUPAC Name(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
Molecular FormulaC24H19F2N3O4S
Molecular Weight483.5
XLogP3.6
Topological Polar Surface Area98.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity932
SMILES
C1COC[C@@H]2N1C(=O)C3=C(C(=O)C=CN3N2[C@H]4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F)O
InChI
InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1
InChIKey
FIDLLEYNNRGVFR-CTNGQTDRSA-N
Chemical Structure
2D Structure
2D structure of Baloxavir
CAS: 1985605-59-1
CID: 124081876
Formula: C24H19F2N3O4S
MW: 483.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Exact Mass483.10643359
Monoisotopic Mass483.10643359
Topological Polar Surface Area98.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity932
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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Alternative Products

CatalogName
TRC-B838750-25MGBaloxavir
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B079-10MGBaloxavir Marboxil

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