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Chemical structure of AACOCF3

GC16115

AACOCF3

Also known as (6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one

AACOCF3 (arachidonyl trifluoromethyl ketone) is a potent inhibitor of cytosolic phospholipase A2 (cPLA2) with an IC50 value of approximately 10μM· By irreversibly alkylating the enzyme's active site, AACOCF3 blocks the release of arachidonic acid and the subsequent production of pro-inflammatory eicosanoids· AACOCF3 is widely used in the study of inflammatory pathways, neuroinflammation, and lipid signaling mechanisms

ChemicalCAS149301-79-1MW356.47FormulaC21H31F3O
CAS number
149301-79-1
Molecular weight
356.47
Formula
C21H31F3O
Solubility
DMF： >25 mg/ml,DMSO： > 25 mg/ml,PBS pH 7·2： ＜50 μ g/ml
InChIKey
PLWROONZUDKYKG-DOFZRALJSA-N
Catalogue number
GC16115
Brand
GLPBIO
Computed properties PubChem CID 5280436 · XLogP 7.6 · TPSA 17.1 Ų · H-bond donors 0
XLogP
7.6
TPSA
17.1 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
14
Heavy atoms
25

SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C(F)(F)F

Computed descriptors from PubChem (CID 5280436), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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