| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
IC50: 145.2 nM (LDHA)[1]
The primary target of LDHA-IN-3 is lactate dehydrogenase A (LDHA), a key enzyme in the glycolytic pathway that catalyzes the conversion of pyruvate to lactate. LDHA-IN-3 is a noncompetitive inhibitor of LDHA. By inhibiting LDHA, the compound reduces lactate production and disrupts the metabolic reprogramming of cancer cells, which rely on aerobic glycolysis (the Warburg effect) for growth and survival. |
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| ln Vitro |
Cytotoxic effects are observed with PSTMB (0~500 μM; 48 hours; MCF-7 cells) [1]. There is a dose-dependent inhibitory effect of PSTMB (0.01~1 μM) on LDHA activity. LDHA activity in Michaelis-Menten and Lineweaver-Burk plots is inhibited by PSTMB (0~0.5 μM). ROS generation and mitochondrial damage are induced by PSTMB (30 and 50 μM; HT29 cells) [1]. The LDHA protein can be efficiently bound by PSTMB. By generating mitochondrial ROS, PSTMB causes intrinsic pathway-mediated apoptosis in cancer cells [1].
In vitro, LDHA-IN-3 inhibits LDHA with an IC50 of 145.2 nM. It exhibits significant anti-tumor activity, effectively reducing LDHA activity and lactate production. The compound is a potent inhibitor that can be used to study the role of LDHA in cancer metabolism. |
| ln Vivo |
In vivo, LDHA-IN-3 may have potential as an anticancer agent. By inhibiting LDHA, the compound could reduce tumor growth and sensitize cancer cells to other therapies. However, detailed in vivo studies on its efficacy and safety are limited. The compound is a valuable tool for studying the Warburg effect and metabolic vulnerabilities in tumors.
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| Enzyme Assay |
The in vitro enzyme assay for LDHA-IN-3 involves measuring the inhibition of LDHA activity. LDHA is incubated with its substrates, pyruvate and NADH, in the presence of the compound. The decrease in NADH absorbance is monitored spectrophotometrically at 340 nm. The IC50 value is calculated by fitting dose-response curves to the inhibition data.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: MCF-7 cells Tested Concentrations: 0~500 μM Incubation Duration: 48 hrs (hours) Experimental Results: demonstrated cytotoxic effect. Cellular assays for LDHA-IN-3 typically involve the use of cancer cell lines that rely on aerobic glycolysis. Cells are treated with the compound, and lactate production, glucose consumption, and ATP levels are measured. Cell viability and proliferation are assessed using standard assays such as MTT or CellTiter-Glo. The compound's effects on cell metabolism and signaling pathways may also be evaluated. |
| Animal Protocol |
In vivo animal studies for LDHA-IN-3 would typically involve administration of the compound to tumor-bearing rodent models. Following treatment, tumor growth, lactate levels, and metabolic markers are assessed. The compound's ability to inhibit LDHA and reduce tumor growth is evaluated. However, specific in vivo study protocols for this compound are not detailed in the available literature.
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| ADME/Pharmacokinetics |
As a small molecule, the pharmacokinetic properties of LDHA-IN-3 would depend on its physicochemical characteristics. The compound is a selenobenzene derivative. Detailed ADME parameters such as half-life, bioavailability, and tissue distribution are not available in the public domain.
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| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for LDHA-IN-3 in the available literature. As a research chemical, the compound is intended for laboratory use only and should be handled with standard safety precautions. Toxicity studies would be required if the compound were to be developed further for therapeutic applications.
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| References | |
| Additional Infomation |
LDHA-IN-3 (CAS#: 227010-33-5) is a selenobenzene compound that acts as a potent, noncompetitive inhibitor of lactate dehydrogenase A (LDHA). It has an IC50 of 145.2 nM. LDHA-IN-3 is a valuable tool in cancer metabolism research, particularly in exploring the Warburg effect and metabolic vulnerabilities in tumors. It supports therapeutic development targeting altered metabolic pathways in cancer.
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| Molecular Formula |
C13H9F3SE
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|---|---|
| Molecular Weight |
301.16576
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| Exact Mass |
301.982
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| CAS # |
227010-33-5
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| PubChem CID |
10494496
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
17
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| Complexity |
225
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)[Se]C2=CC=C(C=C2)C(F)(F)F
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| InChi Key |
WJNWVLLRQJFFTC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H9F3Se/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H
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| Chemical Name |
1-phenylselanyl-4-(trifluoromethyl)benzene
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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: 100 mg/mL (332.04 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.30 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.30 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3204 mL | 16.6019 mL | 33.2038 mL | |
| 5 mM | 0.6641 mL | 3.3204 mL | 6.6408 mL | |
| 10 mM | 0.3320 mL | 1.6602 mL | 3.3204 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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