| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C10H16N2O2S4 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
JX06 is a potent, selective, and covalent inhibitor of PDK, with IC50s of 49 nM, 101 nM, and 313 nM for PDK1, PDK2, and PDK3, respectively. It inhibits PDK1 activity by covalently binding to a cysteine residue in an irreversible manner, and it shows significant antitumor activity[1]. It is supplied as a white to off-white solid (C10H16N2O2S4, MW 324.51) at 99.78% purity.
Physical & Chemical Properties
| CAS Number | 729-46-4 |
|---|---|
| Molecular Formula | C10H16N2O2S4 |
| Molecular Weight | 324.51 g/mol |
| Purity | 99.78% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | S=C(N1CCOCC1)SSC(N2CCOCC2)=S |
| Signaling Pathway | Metabolic Enzyme/Protease; Apoptosis |
| Solubility | In Vitro: DMSO: 50 mg/mL (154.08 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years. In solvent: -80°C, 6 months; -20°C, 1 month. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target
IC50: 49 nM (PDK1), 101 nM (PDK2), 313 nM (PDK3)[1]
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 50 mg/mL (154.08 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2.5 mg/mL (7.70 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | 2.5 mg/mL (7.70 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 2.5 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (7.70 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
JX06 shows barely any inhibitory activity against PDK4 at 10 μM[1]. JX06 (1-10 μM; 48 hours) induces apoptosis in cancer cells with high ECAR/OCR[1]. In A549 cells, JX06 (0-0.6 μM; 72 hours) suppresses growth in a dose-dependent manner[1]. JX06 (0.1-10 μM; 6-24 hours) inhibits PDHA1 phosphorylation in A549 cells, dependent on both time and dose[1]. In A549 cells, JX06 (1-10 μM) raises glucose uptake and intracellular ATP level and lowers aerobic glycolysis, as determined by lactate production[1]. JX06 (1-10 μM; 24 hours) promotes ROS generation in cancer cells that have a high extracellular acidification rate (ECAR)/ oxygen consumption rate (OCR)[1].
Apoptosis Analysis[1]
| Cell Line | A549, EBC-1, HT-29 and H460 cells |
|---|---|
| Concentration | 0, 1, 3, 10 μM |
| Incubation Time | 48 hours |
| Result | Induces cell apoptosis in A549 and EBC-1 cells. |
Cell Viability Assay[1]
| Cell Line | A549 cells |
|---|---|
| Concentration | 0, 0.2, 0.4, 0.6 μM |
| Incubation Time | 72 hours |
| Result | Inhibits the viability of A549 cells in a dose dependent manner. |
Western Blot Analysis[1]
| Cell Line | A549 cells |
|---|---|
| Concentration | 0, 0.1, 0.3, 1, 3, 10 μM |
| Incubation Time | 0, 6, 12, 24 hours |
| Result | Decreased PDHA1 phosphorylation at both serine 293 and serine 232 (S293 and S232) in a time- and dose-dependent manner. |
In Vivo
JX06 (40-80 mg/kg; i.p. for 21 days) suppresses tumor growth in vivo[1].
| Animal Model | A549 subcutaneous xenograft mice[1] |
|---|---|
| Dosage | 40, 80 mg/kg |
| Administration | I.p. injections for 21 days |
| Result | Reduced tumor weights and 67.5% tumor volume at the dose of 80 mg/kg compared with the vehicle control. Well tolerated at the administration dose. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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Genes Dis. 2025 Nov 25.
PRMT3 drives PD-L1-mediated immune escape through activating PDHK1-regulated glycolysis in hepatocellular carcinoma. Cell Death Dis 2025 Mar 6;16(1):158. PMID: 40050608
Mechanical Force Triggers Macrophage Pyroptosis and Sterile Inflammation by Disrupting Cellular Energy Metabolism. Int J Mol Sci 2025 Apr 2;26(7):3321. PMID: 40244158
Pyruvate Dehydrogenase Kinase 1 inhibition mediated oxidative phosphorylation enhancement in cartilage promotes osteoarthritis progression. BMC Musculoskelet Disord 2023 Jul 20;24(1):597. PMID: 37474941
Technical University of Dresden. 2025.
University of Michigan. 2025.
