| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C26H32N2O6 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
TM-1 is a potent inhibitor of pyruvate dehydrogenase kinase (PDHK1), inhibiting PDHK1 and PDHK2 with IC50 values of 2.97 μM and 5.2 μM, respectively. It blocks phosphorylation of the pyruvate dehydrogenase complex (PDHC) and inhibits cell proliferation[1]. It is supplied as an off-white to light brown solid (C26H32N2O6, MW 468.54) at 99.05% purity.
Physical & Chemical Properties
| CAS Number | 921099-13-0 |
|---|---|
| Molecular Formula | C26H32N2O6 |
| Molecular Weight | 468.54 g/mol |
| Purity | 99.05% |
| Appearance | Solid |
| Color | Off-white to light brown |
| SMILES | O=C1C(C2=CC=C(OC)C(OC)=C2)=C(C)C3=CC=C(OCCN4CCN(CCO)CC4)C=C3O1 |
| Signaling Pathway | Metabolic Enzyme/Protease |
| Solubility | In Vitro: DMSO: 50 mg/mL (106.71 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; 4°C, 2 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: 2.97 μM (PDK1), 5.2 μM (PDK2)[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 (106.71 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 | ≥ 1.25 mg/mL (2.67 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 1.25 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (12.5 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 | ≥ 1.25 mg/mL (2.67 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 1.25 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (12.5 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 | ≥ 1.25 mg/mL (2.67 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 1.25 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 (12.5 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
At 0-10 μM, TM-1 inhibits PDHK1 activity, reaching an inhibition rate of 80.5% at 10 μM with an IC50 value of 2.97 μM[1]. TM-1 (0-2.1 μM; 12 h) displays anti-osteosarcoma activity in MG-63 cells, giving an EC50 value of 14.5 μM[1]. In a dose-dependent manner, TM-1 (3, 6, 12 μM; 24 h) lowers PDHC phosphorylation at both the Ser293 and Ser232 sites[1].
Cell Viability Assay[1]
| Cell Line | MG-63 cells |
|---|---|
| Concentration | 3, 6, 12 μM |
| Incubation Time | 24 hours |
| Result | Dramatically reduced the PDHK phosphorylation of both Ser293 and Ser232 sites at 6 or 12 μM. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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