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SARS-CoV-2-IN-15

CAT: 0804-HY-144772-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-144772-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SARS-CoV-2-IN-15 (compound 11) is a potent inhibitor of SARS-CoV-2 with an IC50 of 0.49 μM. SARS-CoV-2-IN-15 is a niclosamide analogue. SARS-CoV-2-IN-15 contains higher stability in human plasma and liver S9 enzymes assay than niclosamide, which can improve bioavailability and half-life when administered orally[1].
CAS Number
1580-42-3
UNSPSC
12352005
Hazard Statement
H315, H320, H335
Target
SARS-CoV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/sars-cov-2-in-15.html
Purity
99.65
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=CC(C(F)(F)F)=C1)C2=CC(Cl)=CC=C2O
Molecular Formula
C14H9ClF3NO2
Molecular Weight
315.67
Precautions
H315, H320, H335
References & Citations
[1] Juang YP, et al. Design, synthesis and biological evaluations of niclosamide analogues against SARS-CoV-2. Eur J Med Chem. 2022 May 5;235:114295.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-chloro-2-hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide

has antimalarial activity

CAS Number1580-42-3
PubChem CID5065884
IUPAC Name5-chloro-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.67
XLogP4.5
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity378
SMILES
C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)O)C(F)(F)F
InChI
InChI=1S/C14H9ClF3NO2/c15-9-4-5-12(20)11(7-9)13(21)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,20H,(H,19,21)
InChIKey
OAMVIBKEICGPKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-chloro-2-hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide
CAS: 1580-42-3
CID: 5065884
Formula: C14H9ClF3NO2
MW: 315.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.67
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass315.0273907
Monoisotopic Mass315.0273907
Topological Polar Surface Area49.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity378
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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