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COX-2-IN-40

CAT: 0804-HY-162244Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-162244Size:1 Each
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Description
COX-2-IN-40 (compound 17) is a COX-2 inhibitor with the IC50 of 14.86 μM. COX-2-IN-40 can be used for study of chronic pain[1].
CAS Number
444790-64-1
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-2-in-40.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=C(Cl)C=C1)C2=COC3=C2C=C(O)C4=CC=CC=C43
Molecular Formula
C19H11ClO3
Molecular Weight
322.74
References & Citations
[1]Shilong Hu, et al. Identification of (4-chlorophenyl) (5-hydroxynaphtho[1,2-b]furan-3-yl) methanone as novel COX-2 inhibitor with analgesic profile. Bioorganic & Medicinal Chemistry Letters. Volume 100, 1 March 2024, 129631
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
COX-2

Chemical Information

(4-Chlorophenyl)(5-hydroxynaphtho[1,2-b]furan-3-yl)methanone
CAS Number444790-64-1
PubChem CID736075
IUPAC Name(4-chlorophenyl)-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone
Molecular FormulaC19H11ClO3
Molecular Weight322.7
XLogP5.2
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity446
SMILES
C1=CC=C2C(=C1)C(=CC3=C2OC=C3C(=O)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C19H11ClO3/c20-12-7-5-11(6-8-12)18(22)16-10-23-19-14-4-2-1-3-13(14)17(21)9-15(16)19/h1-10,21H
InChIKey
DHFMPIJITCFEFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Chlorophenyl)(5-hydroxynaphtho[1,2-b]furan-3-yl)methanone
CAS: 444790-64-1
CID: 736075
Formula: C19H11ClO3
MW: 322.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.7
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass322.0396719
Monoisotopic Mass322.0396719
Topological Polar Surface Area50.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity446
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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T86083-01COX-2-IN-40
311865-01Cox-2
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T89933-01COX-2-IN-46
T89018-01COX-2-IN-44
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