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PACOCF3

CAT: 0804-HY-108607-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108607-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PACOCF3 (Palmityltrifluoromet​hylketone) is a selective phospholipase A2 inhibitor with an IC50 of 3.8 μM. PACOCF3 alters Ca2+ signaling in renal tubular cells[1][2].
CAS Number
141022-99-3
Product Name Alternative
Palmityltrifluoromet​hylketone
UNSPSC
12352211
Hazard Statement
H225, H319
Target
Phospholipase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/pacocf3.html
Purity
99.0
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
CCCCCCCCCCCCCCCC(C(F)(F)F)=O
Molecular Formula
C17H31F3O
Molecular Weight
308.42
Precautions
H225, H319
References & Citations
[1]E J Ackermann, et al. Inhibition of macrophage Ca (2+) -independent phospholipase A2 by bromoenol lactone and trifluoromethyl ketones. J Biol Chem. 1995 Jan 6;270 (1) :445-50. |[2]C R Jan, et al. Dual action of palmitoyl trifluoromethyl ketone (PACOCF3) on Ca2+ signaling: activation of extracellular Ca2+ influx and alteration of ATP- and bradykinin-induced Ca2+ responses in Madin Darby canine kidney cells. Arch Toxicol. 2000 Oct;74 (8) :447-51.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Phospholipase A

Chemical Information

2-Heptadecanone, 1,1,1-trifluoro-

Palmityl Trifluoromethyl Ketone is an alpha-haloketone.

CAS Number141022-99-3
PubChem CID4670
IUPAC Name1,1,1-trifluoroheptadecan-2-one
Molecular FormulaC17H31F3O
Molecular Weight308.4
XLogP8.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count21
Formal Charge0
Complexity249
SMILES
CCCCCCCCCCCCCCCC(=O)C(F)(F)F
InChI
InChI=1S/C17H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(21)17(18,19)20/h2-15H2,1H3
InChIKey
MAHYXYTYTLCTQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Heptadecanone, 1,1,1-trifluoro-
CAS: 141022-99-3
CID: 4670
Formula: C17H31F3O
MW: 308.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.4
XLogP38.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass308.23270009
Monoisotopic Mass308.23270009
Topological Polar Surface Area17.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M33771-01PACOCF3

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