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SARS-CoV-2-IN-115

CAT: 0804-HY-176280Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-176280Size:1 Each
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Description
SARS-CoV-2-IN-115 (Compound 3e) is a SARS-CoV-2 inhibitor. SARS-CoV-2-IN-115 has potent antiviral activity against SARS-CoV-2 in infected Calu-3 cells (EC50: 1.7 μM) . SARS-CoV-2-IN-115 effectively inhibits the activity of human dihydroorotate dehydrogenase (HsDHODH) (IC50: 1.5 μM) . SARS-CoV-2-IN-115 preserves immune response without antiproliferative effects on CD4 T cells [1].
CAS Number
2557232-80-9
UNSPSC
12352005
Target
Dihydroorotate Dehydrogenase; DNA/RNA Synthesis; SARS-CoV
Related Pathways
Anti-infection; Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
COVID-19-anti-virus
Field of Research
Infection
Smiles
CC(NC1=CC=C(C=C1)C#CC2=CC(N)=CC=C2)=O
Molecular Formula
C16H14N2O
Molecular Weight
250.30
References & Citations
[1]Vaidergorn MM, et al. Targeting dihydroorotate dehydrogenase (DHODH) for host-directed therapy: Discovery of a novel alkyne-based scaffold inhibitor effective against SARS-CoV-2. Eur J Med Chem. 2025 Jun 21;297:117876.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[4-[2-(3-aminophenyl)ethynyl]phenyl]acetamide
CAS Number2557232-80-9
PubChem CID175679050
IUPAC NameN-[4-[2-(3-aminophenyl)ethynyl]phenyl]acetamide
Molecular FormulaC16H14N2O
Molecular Weight250.29
XLogP2.4
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity371
SMILES
CC(=O)NC1=CC=C(C=C1)C#CC2=CC(=CC=C2)N
InChI
InChI=1S/C16H14N2O/c1-12(19)18-16-9-7-13(8-10-16)5-6-14-3-2-4-15(17)11-14/h2-4,7-11H,17H2,1H3,(H,18,19)
InChIKey
GDYCMPAYKROXHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[2-(3-aminophenyl)ethynyl]phenyl]acetamide
CAS: 2557232-80-9
CID: 175679050
Formula: C16H14N2O
MW: 250.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.29
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass250.110613074
Monoisotopic Mass250.110613074
Topological Polar Surface Area55.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity371
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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