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Parecoxib

CAT: 0013-GTR19162886-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162886-05Size:50 mg
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Description
A potent and selective COX-2 inhibitor; a water-soluble prodrug of valdecoxib.Pain Approved (In Vitro) :Parecoxib (0-200 μM; 24-48 hours) inhibits the cell proliferation of GBM cells in a dose-dependent manner in GBM cells.Parecoxib (200 μM; 24-48 hours) results in a decreasee migratory ability of U343 cells than PBS-treated group. (In Vivo) :Parecoxib (intraperitoneal injection; 2.5, 5.0 or 10 mg/kg; once a day; 21 days) does not affect locomotor activity in the elevated plus-maze test, and Parecoxib at 5 and 10 mg/kg shows higher levels of percentage of time spent in the open arms.
CAS Number
198470-84-7
Product Name Alternative
SC-69124
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
CCC (=O) NS (=O) (=O) C1=CC=C (C=C1) C1=C (C) ON=C1C1=CC=CC=C1
Molecular Formula
C19H18N2O4S
Molecular Weight
370.4222
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Propanamide, N-[[4- (5-methyl-3-phenyl-4-isoxazolyl) phenyl]sulfonyl]-

Chemical Information

Parecoxib

Parecoxib is an N-acylsulfonamide resulting from the formal condensation of valdecoxib with propionic acid. It is a prodrug for valdecoxib. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a prodrug and a cyclooxygenase 2 inhibitor. It is a member of isoxazoles and a N-sulfonylcarboxamide. It is functionally related to a valdecoxib.

CAS Number198470-84-7
PubChem CID119828
IUPAC NameN-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
Molecular FormulaC19H18N2O4S
Molecular Weight370.4
XLogP3.3
Topological Polar Surface Area97.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity575
SMILES
CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C
InChI
InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)
InChIKey
TZRHLKRLEZJVIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Parecoxib
CAS: 198470-84-7
CID: 119828
Formula: C19H18N2O4S
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass370.09872823
Monoisotopic Mass370.09872823
Topological Polar Surface Area97.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity575
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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