| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Pentacosafluorotridecanoic Acid is not a drug but an environmental toxicant. It disrupts endocrine function, primarily acting as a thyroid hormone synthesis disruptor. In zebrafish, it increases mRNA expression of the thyroid-stimulating hormone beta (tshbeta) gene, indicating disruption of the hypothalamic-pituitary-thyroid (HPT) axis. In rats, it targets testicular Leydig cells, decreasing serum testosterone and luteinizing hormone (LH) levels. It also binds to peroxisome proliferator-activated receptor alpha (PPARalpha) with weak affinity.
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| ln Vitro |
In vitro, PFTrDA exhibits toxic effects in a rat pituitary GH3 cell line, altering gene expression related to the HPT axis. In zebrafish embryos, exposure to 0.1 and 0.3 mg/L induces yolk sac edema and upregulates tshbeta mRNA. In rat studies, exposure decreases testicular palmitic acid, linoleic acid, and oleic acid levels, indicating disruption of testicular lipid homeostasis. There are no reported EC₅0 or IC₅0 values for specific beneficial biological activities, as it is a toxicant.
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| ln Vivo |
In vivo, PFTrDA is highly toxic to mammalian reproduction and development. In pregnant rats, oral gavage of 10 mg/kg/day (GD14-21) decreased fetal serum testosterone levels and promoted abnormal aggregation of fetal Leydig cells. In male rats in late puberty (35-56 days postpartum), 10 mg/kg/day decreased serum testosterone and LH levels, as well as Leydig cell number. Maternal plasma levels are positively associated with the development of eczema in female infants. It is not a therapeutic agent.
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| Enzyme Assay |
No cell-free enzyme assays are standard for this compound as it is not a drug. Its binding to nuclear receptors (e.g., PPARalpha) can be measured using a competitive fluorescence polarization (FP) assay. Recombinant human PPARalpha is incubated with a fluorescent ligand (Fluormone) and varying concentrations of PFTrDA (0.1-100 uM) in 15 mM HEPES (pH 7.5) with 50 mM KCl, 0.01% Tween 20, and 1 mM DTT for 2 h at 25degC. Polarization is measured to calculate the relative binding affinity.
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| Cell Assay |
Cell-based assays for PFTrDA focus on toxicity. For endocrine disruption, rat pituitary GH3 cells are cultured in DMEM/F12 with 10% FBS. Cells are treated with PFTrDA (0.1-100 uM) for 24-48 h. RNA is extracted, and gene expression of tshbeta, deiodinases (dio1, dio2), and thyroid hormone receptors (thra, thrb) is quantified by qRT-PCR. For cytotoxicity, zebrafish liver (ZFL) or rat hepatoma (H4IIE) cells are treated with PFTrDA (1-1000 uM) for 24-72 h, and viability is measured by Alamar Blue or MTT.
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| Animal Protocol |
For in vivo toxicity, a standard zebrafish embryo toxicity test (ZFET) is used. Wild-type zebrafish embryos (4-6 h post-fertilization) are arrayed in 48-well plates (1 per well) and exposed to PFTrDA (0.03-1 mg/L) in egg water. At 120 hpf, embryos/larvae are assessed for developmental endpoints: yolk sac edema, pericardial edema, hatching rate, heart rate, and mortality. For rat studies, male Sprague-Dawley rats (35 days old) are gavaged with 0, 1, 5, or 10 mg/kg/day for 21 days. Blood is collected for hormone assays (testosterone, LH). Testes are weighed, and Leydig cells counted.
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| ADME/Pharmacokinetics |
The pharmacokinetics of PFTrDA in mammals are characterized by extremely slow elimination. Following a single oral dose in rats, PFTrDA distributes primarily to the liver, kidneys, and blood. Its terminal half-life is very long, estimated at >30 days in rats and potentially years in humans. It is not metabolized and is excreted unchanged in urine and feces. PFTrDA undergoes enterohepatic circulation and is reabsorbed in the kidney proximal tubule via organic anion transporters (OATs), contributing to its long residence time in the body.
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| Toxicity/Toxicokinetics |
PFTrDA exhibits significant toxicity, particularly to the liver, thyroid, and reproductive organs. The acute oral LD₅0 in rats is estimated to be >500 mg/kg. Repeated exposure causes hepatomegaly, increased serum ALT/AST, and decreased serum cholesterol. It is a reproductive and developmental toxicant, classified as a Category 2 reproductive toxin (H361f). It is highly persistent and bioaccumulative. It is listed as a hazardous substance (GHS) and is regulated under various environmental laws (e.g., EPAPFAS regulations).
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| References | |
| Additional Infomation |
Pentacosafluorotridecanoic Acid is not a drug and has no clinical use. It is an analytical standard for environmental monitoring. It is used as a reference material for the quantification of PFAS contamination in water, soil, and biological samples (serum, tissue) by LC-MS/MS. It is a target analyte in human biomonitoring programs due to its presence as an environmental pollutant. The compound is a white powder, stored at 4degC or -20degC. Its synonyms include PFTrDA and perfluorotridecanoic acid.
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| Molecular Formula |
C₁₃HF₂₅O₂
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|---|---|
| Molecular Weight |
664.11
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| Exact Mass |
663.958
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| CAS # |
72629-94-8
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| PubChem CID |
3018355
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| Appearance |
Typically exists as solids at room temperature
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| Density |
1.773g/cm3
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| Boiling Point |
260.7ºC at 760 mmHg
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| Melting Point |
112-123ºC(lit.)
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| Flash Point |
111.5ºC
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| Index of Refraction |
1.288
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| LogP |
7.622
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
40
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| Complexity |
970
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
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| InChi Key |
LVDGGZAZAYHXEY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13HF25O2/c14-2(15,1(39)40)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)38/h(H,39,40)
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| Chemical Name |
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid
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| Synonyms |
PFTrDA
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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) |
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
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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 | 1.5058 mL | 7.5289 mL | 15.0577 mL | |
| 5 mM | 0.3012 mL | 1.5058 mL | 3.0115 mL | |
| 10 mM | 0.1506 mL | 0.7529 mL | 1.5058 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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