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COX-1/2-IN-3

CAT: 0804-HY-147693Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-147693Size:1 Each
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Description
COX-1/2-IN-3 (Compound 7a) is a COX-1 and COX-2 inhibitor. COX-2-IN-15 shows anti-inflammatory activity with low toxicity[1].
CAS Number
2428387-82-8
UNSPSC
12352005
Target
COX
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/cox-1-2-in-3.html
Solubility
10 mM in DMSO
Smiles
O=C1NC(C(O)=O)=C(C(C2=CC=C(C=C2)[N+]([O-])=O)=O)C=C1C(O)=O
Molecular Formula
C14H8N2O8
Molecular Weight
332.22
References & Citations
[1]Gonçalves DS, et al. Synthesis of novel 3,5,6-trisubstituted 2-pyridone derivatives and evaluation for their anti-inflammatory activity. Bioorg Med Chem. 2020 Jun 15;28 (12) :115549.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
COX-1; COX-2

Chemical Information

Cox-1/2-IN-3
CAS Number2428387-82-8
PubChem CID156010354
IUPAC Name3-(4-nitrobenzoyl)-6-oxo-1H-pyridine-2,5-dicarboxylic acid
Molecular FormulaC14H8N2O8
Molecular Weight332.22
XLogP1.1
Topological Polar Surface Area167
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity692
SMILES
C1=CC(=CC=C1C(=O)C2=C(NC(=O)C(=C2)C(=O)O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C14H8N2O8/c17-11(6-1-3-7(4-2-6)16(23)24)8-5-9(13(19)20)12(18)15-10(8)14(21)22/h1-5H,(H,15,18)(H,19,20)(H,21,22)
InChIKey
WUIAXPBPALKDHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cox-1/2-IN-3
CAS: 2428387-82-8
CID: 156010354
Formula: C14H8N2O8
MW: 332.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.22
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass332.02806522
Monoisotopic Mass332.02806522
Topological Polar Surface Area167 Ų
Heavy Atom Count24
Formal Charge0
Complexity692
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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Alternative Products

CatalogName
MBS5803705COX-1/2-IN-3
MBS5803131COX-2/NO-IN-1
GTR19239148-01COX-1-IN-2
M26018-01COX-2-IN-1
T61865-01COX-1/2-IN-2
GTR19187365-01COX-1/2-IN-1
T89228-01INOS/COX-2-IN-3
sc-376861Cox-2 (H-3)
TBS2121Cyclooxygenase (COX-1, COX-2) Inhibition Assay
T209627-01INOS/COX-2-IN-1

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