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Pelubiprofen

CAT: 0013-GTR19203511-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203511-07Size:500 mg
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Description
Pelubiprofen is an orally active, non-steroidal COX-2 inhibitor that suppresses PGE2 synthesis. It functions by inhibiting LPS-induced phosphorylation of IKK-β and TAK1. This small molecule is utilized in research on inflammation and pain, with applications in both in vitro and in vivo experimental models.
CAS Number
69956-77-0
Product Name Alternative
COX-2, Pelubiprofen
Field of Research
Immunology & Inflammation, Neuroscience, Signal Transduction
Purity
99.35% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (12.78 mM) ; DMSO:80 mg/mL (309.71 mM)
Smiles
C (\C1=CC=C (C (C (O) =O) C) C=C1) =C\2/C (=O) CCCC2
Molecular Formula
C16H18O3
Molecular Weight
258.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pelubiprofen

Pelubiprofen has been investigated for the treatment of Chronic Back Pain.

CAS Number69956-77-0
PubChem CID5282203
IUPAC Name2-[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid
Molecular FormulaC16H18O3
Molecular Weight258.31
XLogP3
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity375
SMILES
CC(C1=CC=C(C=C1)/C=C/2\CCCCC2=O)C(=O)O
InChI
InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+
InChIKey
AUZUGWXLBGZUPP-GXDHUFHOSA-N
Chemical Structure
2D Structure
2D structure of Pelubiprofen
CAS: 69956-77-0
CID: 5282203
Formula: C16H18O3
MW: 258.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.31
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass258.125594432
Monoisotopic Mass258.125594432
Topological Polar Surface Area54.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5924-5.1Pelubiprofen
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AR-P30509-01(Z) -Pelubiprofen
HY-12383S-01Pelubiprofen-13C, d3
AR-P30504-01Pelubiprofen Impurity 5
RM-P052107-01Pelubiprofen Impurity 7
RM-P052103-01Pelubiprofen Impurity 3
AR-P30503-01Pelubiprofen Impurity 4
AR-P30507-01Pelubiprofen Impurity 1

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