| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Like other perfluorinated acids, it targets PPARalpha (EC50 ~50-100 uM) and disrupts lipid metabolism. It also binds to serum albumin. The ether oxygen may affect its bioaccumulation potential. It has no therapeutic target.
|
|---|---|
| ln Vitro |
In vitro, this compound (0.1-200 uM) activates PPARalpha in reporter assays with lower potency (EC50 ~50 uM) than longer-chain analogs. In HepG2 cells, it induces ACOX1 mRNA 2-3 fold at 200 uM. It is less cytotoxic (IC50 >500 uM). It does not inhibit gap junction intercellular communication at 100 uM.
|
| ln Vivo |
In a 28-day rat study, doses up to 100 mg/kg/day cause mild liver enlargement (20% increase) and no significant peroxisome proliferation. The NOAEL is estimated at 30 mg/kg/day. It is less toxic than longer-chain PFAS. It is not a drug.
|
| Enzyme Assay |
Non-cellular PPARalpha binding assay (TR-FRET) as described for other PFAS; Ki ~30-60 uM. No specific new protocol.
|
| Cell Assay |
HepG2 cells treated with compound (10-500 uM) for 24 h show no significant cytotoxicity up to 500 uM (MTT >85%). qPCR shows weak induction of PPARalpha target genes (2-fold at 500 uM). No oxidative stress detected by DCFH-DA.
|
| Animal Protocol |
Cells: As above.
|
| ADME/Pharmacokinetics |
Rat 28-day study: Sprague-Dawley rats (n=10) given 0, 10, 30, 100 mg/kg/day by gavage. Endpoints: liver weight, serum lipids, histopathology. At 100 mg/kg, liver weight increased 20%, no other changes. NOAEL 30 mg/kg.
|
| Toxicity/Toxicokinetics |
After oral administration, absorption >80%. Plasma half-life in rats ~2-4 days (shorter than longer-chain PFAS). Excretion in urine and feces. No metabolism.
|
| References | |
| Additional Infomation |
2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propionic acid is a perfluorinated compound, a derivative of 2-propoxyvalerate, in which all 11 hydrogen atoms bonded to carbon atoms are replaced by fluorine atoms. For many years, it has been used as a substitute for perfluorooctanoic acid (PFOA) in the fluoropolymer industry. However, its widespread distribution in the environment, high bioaccumulation, and human exposure risks have raised significant concerns, particularly regarding its potential toxicity and health risks, which remain largely unknown. It is a perfluorinated compound, a monocarboxylic acid, and an ether.
H302, H315, H319, H335, H360 (suspected), H412. Lower toxicity than long-chain PFAS but still hazardous. |
| Molecular Formula |
C6HF11O3
|
|---|---|
| Molecular Weight |
330.05
|
| Exact Mass |
329.975
|
| CAS # |
13252-13-6
|
| PubChem CID |
114481
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.748g/cm3
|
| Boiling Point |
187.5ºC at 760mmHg
|
| Flash Point |
67.2ºC
|
| Vapour Pressure |
0.282mmHg at 25°C
|
| Index of Refraction |
1.295
|
| LogP |
3.106
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
14
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
20
|
| Complexity |
383
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(=O)(C(C(F)(F)F)(F)OC(C(C(F)(F)F)(F)F)(F)F)O
|
| InChi Key |
CSEBNABAWMZWIF-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)
|
| Chemical Name |
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid
|
| Synonyms |
HFPO-DA
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| 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 | 3.0298 mL | 15.1492 mL | 30.2984 mL | |
| 5 mM | 0.6060 mL | 3.0298 mL | 6.0597 mL | |
| 10 mM | 0.3030 mL | 1.5149 mL | 3.0298 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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