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Chemical structure of TPPU

GC15387

TPPU

Also known as 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea

TPPU is a soluble epoxide hydrolase (sEH) inhibitor with IC50 values of 37 and 3·7 nM for monkey and human sEH

ChemicalCAS1222780-33-7MW359.3FormulaC16H20F3N3O3
CAS number
1222780-33-7
Molecular weight
359.3
Formula
C16H20F3N3O3
Solubility
≤5mg/ml in ethanol;12·5mg/ml in DMSO;15mg/ml in dimethyl formamide
InChIKey
AAJMQTLFRTZCJK-UHFFFAOYSA-N
Catalogue number
GC15387
Brand
GLPBIO
Computed properties PubChem CID 44142782 · XLogP 2.6 · TPSA 70.7 Ų · H-bond donors 2
XLogP
2.6
TPSA
70.7 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25

SMILES CCC(=O)N1CCC(CC1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F

Computed descriptors from PubChem (CID 44142782), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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