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Chemical structure of PTUPB

GC60311

PTUPB

Also known as 1-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]-3-[4-(trifluoromethyl)phenyl]urea

PTUPB is a novel dual COX-2 and sEH inhibitor with IC50 values of 1·26 nM and 0·9 μM, respectively

ChemicalCAS1287761-01-6MW543.56FormulaC26H24F3N5O3S
CAS number
1287761-01-6
Molecular weight
543.56
Formula
C26H24F3N5O3S
Solubility
DMSO: 100 mg/mL (183·97 mM)
InChIKey
CSEPEVFNTFMBAE-UHFFFAOYSA-N
Catalogue number
GC60311
Brand
GLPBIO
Computed properties PubChem CID 52951990 · XLogP 4.4 · TPSA 127 Ų · H-bond donors 3
XLogP
4.4
TPSA
127 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38

SMILES C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)CCCNC(=O)NC4=CC=C(C=C4)C(F)(F)F

Computed descriptors from PubChem (CID 52951990), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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