| Size | Price | Stock | Qty |
|---|---|---|---|
| 5g |
|
||
| Other Sizes |
| Targets |
rac-Trifluorolactic Acid does not target a specific receptor or enzyme as a therapeutic agent, but rather serves as a biochemical tool and reference standard. As a fluorinated analog of lactate, it can act as a competitive inhibitor of lactate dehydrogenase (LDH) and other enzymes that recognize lactate as substrate. The trifluoromethyl group provides a useful ¹⁹F NMR probe for studying metabolic pathways and enzyme kinetics. The compound is also used as a chiral building block in organic synthesis and as a reference standard in analytical chemistry for the detection and quantification of lactic acid and related metabolites in biological samples.
|
|---|---|
| ln Vitro |
In vitro activity of rac-Trifluorolactic Acid has been studied primarily in the context of its interactions with lactate-metabolizing enzymes. As a fluorinated lactate analog, it can inhibit lactate dehydrogenase (LDH) by competing with the natural substrate, though its potency depends on the specific LDH isoform and assay conditions. The compound's ability to serve as a ¹⁹F NMR probe enables real-time monitoring of metabolic flux in vitro. It is also used in cell culture studies to investigate the role of lactate in cellular metabolism, including the Warburg effect in cancer cells. The racemic nature of the compound allows for studying stereospecific enzyme interactions.
|
| ln Vivo |
In vivo activity of rac-Trifluorolactic Acid has been studied in the context of its natural occurrence in blood and muscle following exercise. As a metabolic tracer, fluorinated lactate analogs can be used to study lactate production, clearance, and inter-organ shuttling in animal models using ¹⁹F NMR spectroscopy. The compound's metabolic fate in vivo depends on its recognition by LDH and other lactate-metabolizing enzymes. The racemic mixture allows for studying the differential metabolism of the two enantiomers in vivo. However, specific pharmacological or therapeutic effects of the compound have not been reported.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for rac-Trifluorolactic Acid typically measure its interaction with lactate dehydrogenase (LDH) and other lactate-binding proteins. LDH activity assays use pyruvate and NADH as substrates, and inhibition by rac-Trifluorolactic Acid is measured by monitoring NADH oxidation spectrophotometrically at 340 nm. IC50 or Ki values are determined from dose-response curves. Binding affinity to LDH can be assessed by isothermal titration calorimetry (ITC) or surface plasmon resonance (SPR). The compound's ability to serve as a substrate or inhibitor for other enzymes that recognize lactate, such as monocarboxylate transporters (MCTs), can also be evaluated in transport assays using radiolabeled lactate.
|
| Cell Assay |
In vitro cellular assays for rac-Trifluorolactic Acid are performed in cell lines to study lactate metabolism and transport. Cells are treated with varying concentrations of the compound, and its effects on lactate production, glucose consumption, and cellular ATP levels are measured. ¹⁹F NMR spectroscopy can be used to monitor the intracellular accumulation and metabolism of the fluorinated compound in real-time. Monocarboxylate transporter (MCT) activity is assessed by measuring the uptake of radiolabeled lactate or the fluorinated analog in the presence and absence of MCT inhibitors. Cytotoxicity is assessed by MTT or LDH release assays to determine safe concentrations for metabolic studies.
|
| Animal Protocol |
In vivo animal studies with rac-Trifluorolactic Acid are typically performed for metabolic tracer applications using ¹⁹F NMR spectroscopy. The compound is administered via intravenous or intraperitoneal injection, and its distribution and metabolism are monitored in real-time by ¹⁹F NMR. Blood and tissue samples are collected at various time points for analysis by LC-MS/MS or NMR to determine the compound's metabolic fate. Exercise models may be used to study the relationship between physical activity and lactate metabolism. Pharmacokinetic parameters including half-life, clearance, and volume of distribution can be derived from these studies.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of rac-Trifluorolactic Acid have been studied using ¹⁹F NMR and LC-MS/MS techniques. The compound is rapidly distributed throughout the body following administration, with detectable levels in blood, muscle, and other tissues. The racemic mixture may exhibit enantioselective pharmacokinetics due to differential recognition by LDH and other enzymes. The trifluoromethyl group enhances metabolic stability compared to native lactate by blocking oxidative metabolism at the α-carbon. Elimination occurs primarily via renal excretion, with the compound cleared from the circulation within hours. Specific PK parameters depend on the species and route of administration.
|
| Toxicity/Toxicokinetics |
Toxicological data for rac-Trifluorolactic Acid are limited, as it is primarily a research compound and reference standard rather than a therapeutic agent. As a naturally occurring metabolite at low concentrations, the compound is generally considered to be well-tolerated. At higher concentrations, the compound may exhibit toxicity related to its interference with lactate metabolism and acid-base balance. The trifluoromethyl group is metabolically stable and does not release fluoride ions under physiological conditions, reducing the risk of fluoride toxicity. Comprehensive toxicology studies including genotoxicity and repeated-dose toxicity have not been reported. Standard laboratory safety precautions should be followed when handling the compound.
|
| Additional Infomation |
rac-Trifluorolactic Acid (3,3,3-trifluorolactic acid) is a fluorinated derivative of lactic acid that occurs naturally in blood and muscle. It is used as a pharmaceutical reference standard and research tool for studying lactate metabolism, enzyme kinetics, and as a ¹⁹F NMR probe. The racemic mixture contains both enantiomers. It is not a therapeutic agent and has no clinical development or regulatory approvals as a drug. Its use is restricted to laboratory research and analytical applications.
|
| Molecular Formula |
C3H3F3O3
|
|---|---|
| Molecular Weight |
144.05
|
| CAS # |
684-07-1
|
| Appearance |
White powder
|
| Density |
1.656±0.06 g/cm3
|
| Boiling Point |
157°C 123mm
|
| Melting Point |
68-69°C
|
| Flash Point |
108.9ºC
|
| SMILES |
FC(C(C(=O)O)O)(F)F
|
| 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 | 6.9420 mL | 34.7102 mL | 69.4203 mL | |
| 5 mM | 1.3884 mL | 6.9420 mL | 13.8841 mL | |
| 10 mM | 0.6942 mL | 3.4710 mL | 6.9420 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
