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Imrecoxib

CAT: 0931-T15571-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T15571-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
395683-14-4
Target
COX
Related Pathways
Immunology/Inflammation, Neuroscience
Purity
0.9994
Bioactivity
Imrecoxib (BAP-909) is a novel and selective cyclooxygenase 2 (COX-2) inhibitor (IC50: 18 nM) that also inhibits COX-1 activity (IC50: 115 nM) and exhibits anti-inflammatory effects.
Smiles
CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O
Molecular Formula
C21H23NO3S
Molecular Weight
369.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Imrecoxib

Imrecoxib has been used in trials studying the treatment of Knee Osteoarthritis.

CAS Number395683-14-4
PubChem CID11682175
IUPAC Name4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-propyl-2H-pyrrol-5-one
Molecular FormulaC21H23NO3S
Molecular Weight369.5
XLogP3.1
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity645
SMILES
CCCN1CC(=C(C1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)S(=O)(=O)C
InChI
InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
InChIKey
AXMZZGKKZDJGAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imrecoxib
CAS: 395683-14-4
CID: 11682175
Formula: C21H23NO3S
MW: 369.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.5
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass369.13986477
Monoisotopic Mass369.13986477
Topological Polar Surface Area62.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity645
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
BUP11731Imrecoxib
AR-I01425-01Imrecoxib-d7
HY-114200R-01Imrecoxib (Standard)
CS-AP-00024Imrecoxib Metabolite (M4)
RM-I600034-01Imrecoxib Impurity 34
RM-I600030-01Imrecoxib Impurity 30
RM-I600022-01Imrecoxib Impurity 22
RM-I600020-01Imrecoxib Impurity 20
RM-I600016-01Imrecoxib Impurity 16
RM-I600055-01Imrecoxib Impurity 55

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