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Sodium Dichloroacetate (DCA) PDK inhibitor

Name: Sodium Dichloroacetate (DCA)
Brand: Selleck Chemicals
SKU: S8615
Availability: InStock
Rating: 5 (24 reviews)

Cat.No.S8615

DCA (Sodium dichloroacetate), a specific inhibitor of pyruvate dehydrogenase kinase (PDK) with IC50 values of 183 and 80 μM for PDK2 and PDK4 respectively, has been shown to derepress Na⁺-K⁺-2Cl^- cotransporter and a mitochondrial potassium-ion channel axis. Sodium dichloroacetate increases reactive oxygen species (ROS) generation, triggers apoptosis in cancer cells, and inhibits tumor growth.

Chemical Structure

Molecular Weight: 150.92

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Quality Control

Batch: Purity: 99.90%

99.90

Related Targets	HSP Transferase P450 (e.g. CYP17) PDE phosphatase PPAR Vitamin Carbohydrate Metabolism Mitochondrial Metabolism Drug Metabolite
Other Dehydrogenase Inhibitors	Devimistat (CPI-613) Vorasidenib (AG-881) (R)-GNE-140 Glycyrrhizin (NSC 167409) Gossypol Acetate Emodin AGI-5198 AGI-6780 NCT-503 Brequinar

Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Concentration	Incubation Time	Activity Description	PMID
MCF7	Function assay	10 mM	12 hrs	Inhibition of PDK1 in human MCF7 cells assessed as increase in oxygen consumption rate at 10 mM after 12 hrs	27006991
MCF7	Function assay	10 mM	12 hrs	Inhibition of PDK1 in human MCF7 cells assessed as decrease in extracellular acidification rate at 10 mM after 12 hrs	27006991
MCF7	Function assay	10 mM	12 hrs	Inhibition of PDK1 in human MCF7 cells assessed as decrease in proton production rate at 10 mM after 12 hrs	27006991
MCF7	Function assay	10 mM	12 hrs	Inhibition of PDK1 in human MCF7 cells assessed as increase in ratio of oxygen consumption rate to extracellular acidification rate at 10 mM after 12 hrs	27006991
MCF7	Function assay	10 mM	12 hrs	Inhibition of PDK1 in human MCF7 cells assessed as decrease in lactate production at 10 mM after 12 hrs	27006991
NCI-H1975	Antiproliferative assay	20 mM	72 hrs	Antiproliferative activity against human NCI-H1975 cells assessed as reduction in cell viability at 20 mM after 72 hrs by MTT assay	30470491
MCF7	Function assay		90 mins	Inhibition of PDK1 (unknown origin) expressed in human MCF7 cells using PDK tide as substrate measured after 90 mins in presence of ATP by ADP-Glo luminescent kinase assay	31509699
MCF7	Antitumor assay	30 mg/kg	two weeks	Antitumor activity against human MCF7 cells xenografted in BALB/c nude mouse assessed as tumor growth inhibition at 30 mg/kg, iv administered every two days for two weeks measured after 14 days	31509699
MCF7	Function assay	30 uM	4 hrs	Induction of metabolic reversal from aerobic glycolysis to oxidative phosphorylation in human MCF7 cells assessed as increase in extracellular acidification rate at 30 uM pretreated for 4 hrs followed by glucose addition after 25 mins by seahorse XF24 ext	31509699
MCF7	Function assay	30 uM	4 hrs	Induction of metabolic reversal from aerobic glycolysis to oxidative phosphorylation in human MCF7 cells assessed as increase in extracellular acidification rate at 30 uM pretreated for 4 hrs followed by glucose addition after 25 mins followed by subsequent assay	31509699
MCF7	Function assay	30 uM	4 hrs	Induction of metabolic reversal from aerobic glycolysis to oxidative phosphorylation in human MCF7 cells assessed as decline in extracellular acidification rate at 30 uM pretreated for 4 hrs followed by glucose addition after 25 mins followed by subsequent assay	31509699
MCF7	Function assay	30 uM	6 hrs	Induction of metabolic reversal from aerobic glycolysis to oxidative phosphorylation in human MCF7 cells assessed as decrease in oxygen consumption rate at 30 uM pretreated for 6 hrs followed by oligomycin A addition after 25 mins followed by subsequent assay	31509699
Click to View More Cell Line Experimental Data

Solubility

In vitro
Batch:

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	0.500mg/ml (3.31mM)	Taking the 1 mL working solution as an example, add 50 μL of 10 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

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Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid 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 master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
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Chemical Information, Storage & Stability

Molecular Weight	150.92	Formula	C₂HCl₂O₂.Na	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	2156-56-1	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	Dichloroacetic acid, bichloroacetic acid, BCA			Smiles	C(C(=O)[O-])(Cl)Cl.[Na+]

Mechanism of Action

Targets/IC₅₀/Ki	PDK4 (Cell-free assay) 80 μM PDK2 (Cell-free assay) 183 μM
In vitro	Sodium Dichloroacetate (DCA) can trigger apoptosis of human lung, breast and brain cancer cells. After treatment with this compound, cancer cells show increased levels of ROS, depolarization of the MMP in vitro and increased apoptosis both in vitro and in vivo. It inhibits the activity of pyruvate dehydrogenase kinase (PDK), thereby stimulating the mitochondrial enzyme pyruvate dehydrogenase (PDH). When turned off, PDH no longer converts pyruvate to acetyl-CoA required for mitochondrial respiration and glucose dependent oxidative phosphorylation. DCA thus shifts cellular metabolism from glycolysis to glucose oxidation, decreasing the mitochondrial membrane potential gradient and helping to open mitochondrial transition pores. This metabolic switch facilitates translocation of pro-apoptotic mediators like cytochrome c (cyt c) and apoptosis inducing factor (AIF), both of which stimulate apoptosis. Thereby, it drives cancer cells to commit suicide by apoptosis.
In vivo	Sodium Dichloroacetate (DCA) can act as a cytostatic agent in vitro and in vivo, without causing apoptosis (programmed cell death). It is discovered to be a safe drug with no cardiac, pulmonary, renal or bone marrow toxicity. The most serious common side effect consists of peripheral neuropathy, which is reversible. This compound has anti-cancer activity in several cancer types including colon, prostate, ovarian, neuroblastoma, lung carcinoid, cervical, endometrial, cholangiocarcinoma, sarcoma and T-cell lymphoma. Other antineoplastic actions have also been suggested. These include angiogenesis blockade, changes in expression of HIF1-α, alteration of pH regulators V-ATPase and MCT1, and other cell survival regulators such as PUMA, GLUT1, Bcl2 and p53. It is able to significantly reduce metastatic burden in the lungs of rats in a highly metastatic in vivo model of breast cancer. In vivo the DCA-Na treatment induces 20% survival and decreased the tumoral diameter, volume and weight, without affect the body weight and avoid metastasis in C57BL/6 mice.
References	[1] https://pubmed.ncbi.nlm.nih.gov/27803917/ [2] https://pubmed.ncbi.nlm.nih.gov/22093145/ [3] https://www.researchgate.net/publication/236982297 [4] https://pubmed.ncbi.nlm.nih.gov/24356970/

Applications

Methods	Biomarkers	Images	PMID
Western blot	pPDH E1α / PDH E1α		25630799

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT06073106	Not yet recruiting	Stroke\|Traumatic Brain Injury\|Knee Osteoarthritis\|Breast Cancer	Tan Tock Seng Hospital\|Rehabilitation Research Institute of Singapore (RRIS)\|Woodlands Health (WH)	December 2023	--
NCT05810623	Not yet recruiting	Upper Urinary Tract Urothelial Carcinoma\|Bladder Cancer	David D''Andrea\|Medical University of Vienna	June 1 2023	Phase 3
NCT05646485	Recruiting	Bladder Cancer\|Urothelial Carcinoma\|Hematuria\|Smoking Cessation	University of Texas Southwestern Medical Center	May 5 2023	Not Applicable
NCT05460533	Recruiting	B-cell Acute Lymphoblastic Leukemia	Memorial Sloan Kettering Cancer Center\|Novartis Pharmaceuticals	July 12 2022	Phase 2

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