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Chemical structure of mEH-IN-1

GC75318

mEH-IN-1

Also known as 2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-2-cyclopentylacetamide

mEH-IN-1 (Compound 62) is a potent microsomal epoxide hydrolase (mEH) inhibitor with the IC50 of 2·2 nM

ChemicalCAS2418576-06-2MW385.37FormulaC16H17F6NOS
CAS number
2418576-06-2
Molecular weight
385.37
Formula
C16H17F6NOS
Solubility
DMSO： 50 mg/mL (129·75 mM; ultrasonic and warming and heat to 60°C)
InChIKey
HFFWMFZWOVDMTI-UHFFFAOYSA-N
Catalogue number
GC75318
Brand
GLPBIO
Computed properties PubChem CID 162646041 · XLogP 4.9 · TPSA 68.4 Ų · H-bond donors 1
XLogP
4.9
TPSA
68.4 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
25

SMILES C1CCC(C1)C(C(=O)N)SCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Computed descriptors from PubChem (CID 162646041), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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