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Ziresovir

CAT: 0804-HY-109142-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-109142-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ziresovir (AK0529; RO-0529) is a potent, selective, and orally bioavailable respiratory syncytial virus (RSV) fusion (F) protein (RSV F) protein inhibitor. Ziresovir shows anti-RSV activity (EC50=3 nM) and highlights pharmacokinetics in animal species[1].
CAS Number
1422500-60-4
Product Name Alternative
AK0529; RO-0529
UNSPSC
12352005
Target
RSV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ziresovir.html
Purity
95.33
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
NC1(COC1)CNC2=NC(N(CC3)CC4=CC=CC=C4S3(=O)=O)=NC5=C2C=C(C)C=C5
Molecular Formula
C22H25N5O3S
Molecular Weight
439.53
References & Citations
[1]Zheng X, et al. Discovery of Ziresovir as a Potent, Selective, and Orally Bioavailable Respiratory Syncytial Virus Fusion Protein Inhibitor. J Med Chem. 2019 Jul 11;62 (13) :6003-6014.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Ziresovir

Ziresovir is under investigation in clinical trial NCT03699202 (Anti-RSV Study in Chinese Patients (ASCENT)).

CAS Number1422500-60-4
PubChem CID71262247
IUPAC NameN-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-amine
Molecular FormulaC22H25N5O3S
Molecular Weight439.5
XLogP1.8
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity740
SMILES
CC1=CC2=C(C=C1)N=C(N=C2NCC3(COC3)N)N4CCS(=O)(=O)C5=CC=CC=C5C4
InChI
InChI=1S/C22H25N5O3S/c1-15-6-7-18-17(10-15)20(24-12-22(23)13-30-14-22)26-21(25-18)27-8-9-31(28,29)19-5-3-2-4-16(19)11-27/h2-7,10H,8-9,11-14,23H2,1H3,(H,24,25,26)
InChIKey
GAAICKUTDBZCMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ziresovir
CAS: 1422500-60-4
CID: 71262247
Formula: C22H25N5O3S
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass439.16781085
Monoisotopic Mass439.16781085
Topological Polar Surface Area119 Ų
Heavy Atom Count31
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3844628-01Ziresovir
A20179-2Ziresovir 2mg
A20179-100Ziresovir 100mg
A20179-50Ziresovir 50mg
A20179-10Ziresovir 10mg
A20179-25Ziresovir 25mg
A20179-5Ziresovir 5mg
A20179-10mM-DZiresovir 10mM * 1mL in DMSO

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