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Celecoxib

CAT: 0013-GTR19177034-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177034-02Size:250 mg
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Description
Celecoxib (SC-58635) is a selective COX-2 inhibitor (IC50=40 nM) with demonstrated anti-inflammatory and analgesic properties. It is widely used in research models of osteoarthritis, rheumatoid arthritis, and pain, employing both in vitro enzyme assays and in vivo animal studies to investigate its mechanisms and efficacy.
CAS Number
169590-42-5
Product Name Alternative
SC-58635
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
>98%
Bioactivity
COX-2 inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 100 mg/ml) or in Ethanol (up to 100 mg/ml) .
Smiles
C (F) (F) (F) C1=NN (C (=C1) C2=CC=C (C) C=C2) C3=CC=C (S (N) (=O) =O) C=C3
Molecular Formula
C17H14F3N3O2S
Molecular Weight
381.4
Storage Conditions
RT
Notes
For research use only.
Other Product Names
4- (5- (p-Tolyl) -3- (trifluoromethyl) -1H-pyrazol-1-yl) benzenesulfonamide

Chemical Information

Celecoxib

Celecoxib is a member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis. It has a role as a geroprotector, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and a cyclooxygenase 2 inhibitor. It is a member of pyrazoles, a member of toluenes, a sulfonamide and an organofluorine compound.

CAS Number169590-42-5
PubChem CID2662
IUPAC Name4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.4
XLogP3.4
Topological Polar Surface Area86.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity577
SMILES
CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKey
RZEKVGVHFLEQIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Celecoxib
CAS: 169590-42-5
CID: 2662
Formula: C17H14F3N3O2S
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass381.07588236
Monoisotopic Mass381.07588236
Topological Polar Surface Area86.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity577
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
T0466-01Celecoxib

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