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Antiviral agent 36

CAT: 0804-HY-155129Size: 1 EachDry Ice: NoHazardous: No
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Description
Antiviral agent 36 (compound 27) is a potent dengue (DENV) and Zika (ZIKV) viruses inhibitor. Antiviral agent 36 inhibits replication of Zika and dengue virus with EC50s of 100 nM, 90 nM, 210 nM, and 120 nM for ZIKV-FLR, ZIKV-HN16, DENV-2, and DENV-3, respectively[1].
CAS Number
3033039-89-0
UNSPSC
12352005
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antiviral-agent-36.html
Solubility
10 mM in DMSO
Smiles
O=C1N(C(/C=C/C2=NC(OC)=CC=C2)=NC3=CC=C(C=C31)N4CCOCC4)C5=CC=CC(C(C)(C)C)=C5
Molecular Formula
C30H32N4O3
Molecular Weight
496.60
References & Citations
[1]Md Ashraf-Uz-Zaman, et al. Quinazolinone Compounds Have Potent Antiviral Activity against Zika and Dengue Virus. J Med Chem. 2023 Aug 10;66 (15) :10746-10760.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antiviral agent 36
CAS Number3033039-89-0
PubChem CID168476011
IUPAC Name3-(3-tert-butylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]-6-morpholin-4-ylquinazolin-4-one
Molecular FormulaC30H32N4O3
Molecular Weight496.6
XLogP5.2
Topological Polar Surface Area67.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity846
SMILES
CC(C)(C)C1=CC(=CC=C1)N2C(=NC3=C(C2=O)C=C(C=C3)N4CCOCC4)/C=C/C5=NC(=CC=C5)OC
InChI
InChI=1S/C30H32N4O3/c1-30(2,3)21-7-5-9-24(19-21)34-27(14-11-22-8-6-10-28(31-22)36-4)32-26-13-12-23(20-25(26)29(34)35)33-15-17-37-18-16-33/h5-14,19-20H,15-18H2,1-4H3/b14-11+
InChIKey
CUTRLCMAVXSSFO-SDNWHVSQSA-N
Chemical Structure
2D Structure
2D structure of Antiviral agent 36
CAS: 3033039-89-0
CID: 168476011
Formula: C30H32N4O3
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.6
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass496.24744090
Monoisotopic Mass496.24744090
Topological Polar Surface Area67.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity846
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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