Products for Research Use Only
RegisterLogin

Deracoxib

CAT: 0931-T0484-04Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T0484-04Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
169590-41-4
Target
Apoptosis, COX
Related Pathways
Apoptosis, Immunology/Inflammation, Neuroscience
Purity
>99.99%
Bioactivity
Deracoxib (SC 46) is a non-steroidal, non-narcotic anti-inflammatory drug. It is also a selective cyclooxygenase-2 inhibitor, and IC50 Value: 70 to 150 μM (inhibition of 3 osteosarcoma cell lines) .
Smiles
COc1ccc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Molecular Formula
C17H14F3N3O3S
Molecular Weight
397.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Deracoxib

Deracoxib is a member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3, and 5 by 4-sulfamoylphenyl, difluoromethyl and 3-fluoro-4-methoxyphenyl groups, respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and a cyclooxygenase 2 inhibitor. It is a member of pyrazoles, a sulfonamide and an organofluorine compound.

CAS Number169590-41-4
PubChem CID3058754
IUPAC Name4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.4
XLogP2.8
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity596
SMILES
COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)F)F
InChI
InChI=1S/C17H14F3N3O3S/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25/h2-9,17H,1H3,(H2,21,24,25)
InChIKey
WAZQAZKAZLXFMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Deracoxib
CAS: 169590-41-4
CID: 3058754
Formula: C17H14F3N3O3S
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass397.07079698
Monoisotopic Mass397.07079698
Topological Polar Surface Area95.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity596
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

Alternative Products

CatalogName
FD21070-01Deracoxib
HY-W703540Deracoxib-d4
HY-17509S-01Deracoxib-d3

Popular Products