CAS Number141022-99-3
SynonymsMFCD00797669; 1,1,1-Trifluoro-2-heptadecanone; 1,1,1-trifluoroheptadecan-2-one; PACOCF3 Pentadecyl trifluoromethyl ketone
Molecular FormulaC17H31F3O
Molecular Weight308.42
Purity98.00%
Density1.0±0.1 g/cm3
Boiling Point329.0±37.0 °C at 760 mmHg
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 141022-99-3 |
| Catalog No. | 2A-1186324 |
| Chinese Name | 1,1,1-三氟-2-十七烷酮 |
| Synonyms | MFCD00797669; 1,1,1-Trifluoro-2-heptadecanone; 1,1,1-trifluoroheptadecan-2-one; PACOCF3 Pentadecyl trifluoromethyl ketone |
| Molecular Formula | C17H31F3O |
| Molecular Weight | 308.42 |
| Purity | 98.00 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 329.0±37.0 °C at 760 mmHg |
| Storage Condition | Seal and store at -20ºC |
| Application | PACOCF3 (trifluoropalmitic acid ethyl ketone) is a selective phospholipase A2 inhibitor with an IC50 of 3.8 μM. PACOCF3 alters calcium signaling in renal tubular cells [1][2]. |
| PubChem ID | 6752158 |
| MDL Number | MFCD00797669 |
| 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 |
| InChI Key | MAHYXYTYTLCTQD-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352211 |
| Hazard Symbols | transportation |
| Bioactivity | PACOCF3 (Palmityltrifluoromethylketone) is a selective phospholipase A2 inhibitor with an IC50 of 3.8 μM. PACOCF3 alters Ca2+ signaling in renal tubular cells[1][2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Phospholipase Research Areas >> Inflammation/Immunology Target PLA2:3.8 μM (IC50) In Vitro At a concentration of 20 μM, PACOCF3 does not change basal cytosolic free calcium concentrations ([Ca2+]i), but at concentrations of 50-250 μM PACOCF3 induced an increase in [Ca2+]i by activating extracellular Ca2+ entry which is partly suppressed by 50 μM La3+[2]. The effect of PACOCF3 is abolished by removal of extracellular Ca2+. PACOCF3 (10 μM) enhances both the peak value and the area under the curve of the [Ca2+]i increase induced by 10 μM ATP and 1 μM bradykinin by potentiating extracellular Ca2+ influx without affecting internal Ca2+ release[2]. References [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. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 329.0±37.0 °C at 760 mmHg Molecular Formula C17H31F3O Molecular Weight 308.423 Flash Point 227.1±18.0 °C Exact Mass 308.232697 PSA 17.07000 LogP 7.93 Vapour Pressure 0.0±0.7 mmHg at 25°C Index of Refraction 1.418 InChIKey MAHYXYTYTLCTQD-UHFFFAOYSA-N SMILES CCCCCCCCCCCCCCCC(=O)C(F)(F)F Storage condition -20°C |
| Use of | PACOCF3 (Palmityltrifluoromethylketone) is a selective phospholipase A2 inhibitor with an IC50 of 3.8 μM. PACOCF3 alters Ca2+ signaling in renal tubular cells[1][2]. Properties Name Palmityl trifluoromethyl ketone Synonym More Synonyms PACOCF3 Biological Activity Description PACOCF3 (Palmityltrifluoromethylketone) is a selective phospholipase A2 inhibitor with an IC50 of 3.8 μM. PACOCF3 alters Ca2+ signaling in renal tubular cells[1][2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Phospholipase Research Areas >> Inflammation/Immunology PLA2:3.8 μM (IC50) In Vitro At a concentration of 20 μM, PACOCF3 does not change basal cytosolic free calcium concentrations ([Ca2+]i), but at concentrations of 50-250 μM PACOCF3 induced an increase in [Ca2+]i by activating extracellular Ca2+ entry which is partly suppressed by 50 μM La3+[2]. The effect of PACOCF3 is abolished by removal of extracellular Ca2+. PACOCF3 (10 μM) enhances both the peak value and the area under the curve of the [Ca2+]i increase induced by 10 μM ATP and 1 μM bradykinin by potentiating extracellular Ca2+ influx without affecting internal Ca2+ release[2]. References [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. Chemical & Physical Properties Molecular Formula C17H31F3O Exact Mass 308.232697 PSA 17.07000 Index of Refraction 1.418 InChIKey MAHYXYTYTLCTQD-UHFFFAOYSA-N SMILES CCCCCCCCCCCCCCCC(=O)C(F)(F)F |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 1170 International Maritime Transport Danger Regulations: 1170 International Air Transport Danger Regulations: 1170 14.2 United Nations shipping name European Land Transport Danger Regulations: ETHANOL SOLUTION International Maritime Dangerous Regulations: ETHANOL SOLUTION International Air Transport Danger Regulations: Ethanol solution 14.3 Transport hazard categories European land transport Dangerous Regulations: 3 International sea transport Dangerous Regulations: 3 International air transport Dangerous Regulations: 3 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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