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Antiviral agent 34

CAT: 0804-HY-155110-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-155110-01Size:1 mg
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Description
Antiviral agent 34 is a potent and orally active antiviral agent against influenza A and B subtypes with an EC50 value of 0.8 nM for H1N1 proliferation. Antiviral agent 34 derivatives inhibited influenza virus proliferation by targeting influenza virus RNA-dependent RNA polymerase. Antiviral agent 34 can be used for influenza virus research[1].
CAS Number
945152-88-5
UNSPSC
12352005
Target
Influenza Virus
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antiviral-agent-34.html
Solubility
10 mM in DMSO
Smiles
CC(C)(C)C1=CC=C(C(NC(NC2=CC=C(NC(C3=CC=C(C(C)(C)C)C=C3)=O)C=C2)=S)=O)C=C1
Molecular Formula
C29H33N3O2S
Molecular Weight
487.66
References & Citations
[1]Liu X, et al. Rational design and optimization of acylthioureas as novel potent influenza virus non-nucleoside polymerase inhibitors. Eur J Med Chem. 2023 Nov 5;259:115678.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Antiviral agent 34
CAS Number945152-88-5
PubChem CID17235233
IUPAC Name4-tert-butyl-N-[4-[(4-tert-butylbenzoyl)carbamothioylamino]phenyl]benzamide
Molecular FormulaC29H33N3O2S
Molecular Weight487.7
XLogP7.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity730
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C29H33N3O2S/c1-28(2,3)21-11-7-19(8-12-21)25(33)30-23-15-17-24(18-16-23)31-27(35)32-26(34)20-9-13-22(14-10-20)29(4,5)6/h7-18H,1-6H3,(H,30,33)(H2,31,32,34,35)
InChIKey
GKGUZBBYDHKNIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antiviral agent 34
CAS: 945152-88-5
CID: 17235233
Formula: C29H33N3O2S
MW: 487.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.7
XLogP37.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass487.22934848
Monoisotopic Mass487.22934848
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity730
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

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