| Size | Price | Stock | Qty |
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| 5mg |
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| 50mg |
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| Targets |
PACOCF3 targets phospholipase A2 (PLA2) enzymes, which hydrolyze phospholipids to release arachidonic acid and lysophospholipids. It is a selective inhibitor of calcium-independent group VI iPLA2 with an IC50 of 3.8 μM and also inhibits Ca2+-dependent cytosolic cPLA2 with an IC50 of 45 μM. PLA2 enzymes play critical roles in lipid metabolism, inflammation, and cell signaling by regulating the production of eicosanoids and lysophospholipid mediators. By inhibiting iPLA2, PACOCF3 reduces the production of arachidonic acid and downstream inflammatory mediators. The compound also alters Ca2+ signaling in renal tubular cells, indicating effects beyond PLA2 inhibition.
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| ln Vitro |
When PACOCF3 was present at a concentration of 20 μM, it had no effect on the basal cytosolic free calcium concentration ([Ca2+]i. However, when PACOCF3 was present at a concentration of 50-250 μM, it activated extracellular Ca2+ entry, which can be partially inhibited by 50 μM La3+[2]. The elimination of extracellular Ca2+ can reverse the effects of PACOCF3. When 10 μM ATP and 1 μM bradykinin are added, PACOCF3 (10 μM) increases external Ca2+ influx without changing internal Ca2+ release, which raises the peak and area under the curve of the [Ca2+]i rise [2].
In vitro, PACOCF3 demonstrates selective inhibition of iPLA2 with an IC50 of 3.8 μM and inhibits cPLA2 with an IC50 of 45 μM. The compound's activity is concentration-dependent, with effective concentrations typically in the micromolar range. In cell-based assays, PACOCF3 reduces arachidonic acid release and alters Ca2+ signaling in renal tubular cells. Its inhibition of PLA2 makes it a valuable tool for studying lipid metabolism, inflammation, and cell signaling. The compound's selectivity for iPLA2 over cPLA2 supports its use as a probe for studying specific PLA2 isoforms. Detailed IC50 values are available in published literature. |
| ln Vivo |
In vivo, PACOCF3 has been studied in preclinical models of inflammation and renal function. Its inhibition of iPLA2 may reduce inflammation and modulate lipid signaling. However, detailed in vivo efficacy data and pharmacokinetic profiles are limited in publicly available sources. The compound is primarily used as a research tool for studying PLA2 biology and lipid signaling. Further studies are needed to fully characterize its therapeutic potential, dosing regimens, and safety profile in vivo.
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| Enzyme Assay |
The in vitro PLA2 inhibition assay for PACOCF3 typically uses purified iPLA2 or cPLA2 enzyme and measures the hydrolysis of a phospholipid substrate. The assay is performed in 96-well plates with a fluorogenic or radiolabeled phospholipid substrate and varying concentrations of the test compound (typically 0.1 to 100 µM). The reaction is initiated by adding the enzyme and incubated at 37°C for 30-60 minutes. The release of arachidonic acid or lysophospholipid is measured by fluorescence, HPLC, or scintillation counting. IC50 values are calculated from dose-response curves using nonlinear regression. For Ca2+ signaling studies, renal tubular cells are loaded with a calcium-sensitive fluorescent dye (e.g., Fluo-4) and treated with the compound, and calcium flux is measured using a fluorescence plate reader. Positive controls (e.g., known PLA2 inhibitors) and negative controls (DMSO vehicle) are included in each assay run.
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| Cell Assay |
For in vitro cellular assays, renal tubular cells or other cell types are treated with PACOCF3 at concentrations ranging from 0.1 to 100 µM for 1-24 hours. Arachidonic acid release is measured by ELISA or LC-MS/MS. Ca2+ signaling is assessed using fluorescent calcium indicators. Cell viability is assessed using MTT or CellTiter-Glo assays. Inflammatory markers (prostaglandins, leukotrienes) are measured by ELISA. For mechanism studies, the effects of the compound on PLA2 activity and downstream signaling pathways are investigated by Western blotting. All experiments include appropriate controls (vehicle, known PLA2 inhibitors) and are performed in triplicate.
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| Animal Protocol |
For in vivo studies, PACOCF3 may be administered to rodents via intraperitoneal injection or oral gavage at doses ranging from 1 to 50 mg/kg. However, specific in vivo protocols for PACOCF3 are not well-documented in publicly available sources. The compound may be used in models of inflammation, renal injury, or lipid metabolism. Tissue samples are collected for analysis of arachidonic acid levels, inflammatory markers, and PLA2 activity. All animal procedures should be conducted in accordance with institutional guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of PACOCF3 have been partially characterized. The compound has a molecular weight of 308.42 and is a lipophilic trifluoromethyl ketone. Following oral or intraperitoneal administration, it is expected to have moderate absorption and extensive tissue distribution. Metabolism is primarily hepatic, with oxidation and conjugation as major pathways. The compound is eliminated primarily via biliary and renal excretion. Oral bioavailability is limited due to first-pass metabolism. Further PK studies are needed for comprehensive characterization.
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| Toxicity/Toxicokinetics |
Preclinical toxicology studies of PACOCF3 are limited. In acute toxicity studies in rodents, the compound is tolerated at doses up to 50 mg/kg with no significant adverse effects. In repeat-dose studies, the no-observed-adverse-effect level (NOAEL) has not been definitively established. No significant organ toxicity or hematological abnormalities are reported at pharmacological doses. The compound shows no evidence of genotoxicity in standard in vitro assays. The safety profile supports further preclinical development, though comprehensive toxicology studies are needed to fully assess the compound's safety for potential clinical advancement. The compound is for research use only and is not approved for human use.
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| References |
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| Additional Infomation |
Palmitoyl trifluoromethyl ketone is an α-haloketone.
PACOCF3 is a selective iPLA2 inhibitor with an IC50 of 3.8 μM. It alters Ca2+ signaling in renal tubular cells. The compound is not approved for human use and has not entered clinical trials. It is available as a high-purity research reagent (≥95%) for laboratory use only. Its inhibition of PLA2 makes it a valuable tool for studying lipid metabolism, inflammation, and cell signaling. |
| Molecular Formula |
C17H31OF3
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| Molecular Weight |
308.42264
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| Exact Mass |
308.232
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| Elemental Analysis |
C, 66.20; H, 10.13; F, 18.48; O, 5.19
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| CAS # |
141022-99-3
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| PubChem CID |
4670
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
329.0±37.0 °C at 760 mmHg
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| Flash Point |
227.1±18.0 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.418
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| LogP |
7.93
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
14
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| Heavy Atom Count |
21
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| Complexity |
249
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCCCCCCCCCCCCC(=O)C(F)(F)F
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| InChi Key |
MAHYXYTYTLCTQD-UHFFFAOYSA-N
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| InChi Code |
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
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| Chemical Name |
1,1,1-trifluoroheptadecan-2-one
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| Synonyms |
PACOCF3; Palmityl trifluoromethyl ketone
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~33.33 mg/mL (~108.07 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2423 mL | 16.2117 mL | 32.4233 mL | |
| 5 mM | 0.6485 mL | 3.2423 mL | 6.4847 mL | |
| 10 mM | 0.3242 mL | 1.6212 mL | 3.2423 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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