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AACOCF3

CAT: 1410-M33753-01Size: 1 EachDry Ice: NoHazardous: No
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Description
AACOCF3 (Arachidonyl trifluoromethyl ketone) is a cell-permeable trifluoromethyl ketone analog of arachidonic acid and a potent, selective slow binding inhibitor of the 85-kDa cytosolic phospholipase A2 (cPLA2) . By blocking the production of arachidonate and 12-hydroxyeicosatetraenoic acid in calcium ionophore-challenged platelets, AACOCF3 hinders their synthesis. Additionally, AACOCF3 inhibits glucose-induced insulin secretion from isolated rat islets, making it promising for cardiovascular disease research.
CAS Number
149301-79-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
356.47
Molecular Formula
C21H31F3O
Notes
Research use only, not for human use.
Receptor
Phospholipase

Chemical Information

(6Z,9Z,12Z,15Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one

AACOCF3 is a fatty acid derivative that is arachidonic acid in which the OH part of the carboxy group has been replaced by a trifluoromethyl group. It has a role as an EC 3.1.1.4 (phospholipase A2) inhibitor. It is a ketone, an organofluorine compound, a fatty acid derivative and an olefinic compound. It is functionally related to an arachidonic acid.

CAS Number149301-79-1
PubChem CID5280436
IUPAC Name(6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one
Molecular FormulaC21H31F3O
Molecular Weight356.5
XLogP7.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count25
Formal Charge0
Complexity443
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C(F)(F)F
InChI
InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
PLWROONZUDKYKG-DOFZRALJSA-N
Chemical Structure
2D Structure
2D structure of (6Z,9Z,12Z,15Z)-1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one
CAS: 149301-79-1
CID: 5280436
Formula: C21H31F3O
MW: 356.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP37.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass356.23270009
Monoisotopic Mass356.23270009
Topological Polar Surface Area17.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
B6748-25AACOCF3

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