| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
PDK1 (Kd = 3 μM)
PS210's primary target is phosphoinositide-dependent protein kinase 1 (PDK1), a key regulator of the AGC kinase family. It binds to the PIF-binding pocket of PDK1 and allosterically modulates the active site. This binding induces a conformational change that activates PDK1 in vitro. However, in cells, PS210 acts as an inhibitor of PDK1. The compound shows high selectivity, with no activity against any of the 121 other kinases tested, including downstream effectors such as S6K, PKB/Akt, and GSK3. |
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| ln Vitro |
When PS210 causes PDK1 to stabilize at a specific temperature, PS210 stabilized the residue Arg131, which is located across from helix a-B at the opposite end of helix a-C. As a result, it appears that the residues constituting the phosphate-binding site are a fixed point that permits the relative movement of the helices during PDK1 activation[1].
In vitro, PS210 is a potent activator of PDK1 with a Kd of 3 µM. It specifically targets the PIF-binding pocket of PDK1 and allosterically modulates the active site. The compound does not affect any of the 121 other kinases tested, including S6K, PKB/Akt, or GSK3. Its activity is characterized by its ability to bind PDK1 and induce a conformational change that enhances PDK1 activity in cell-free systems. |
| ln Vivo |
In cells, PS210 acts as an inhibitor of protein kinase PDK1, in contrast to its activator effect in vitro. The compound has anticancer activity. Its cellular effects are mediated through the modulation of PDK1 activity and downstream signaling pathways, including the PI3K/Akt pathway. The compound's activity in cells is dependent on its ability to penetrate cell membranes and reach its intracellular target. Its prodrug form may enhance cellular uptake and activity.
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| Enzyme Assay |
The in vitro activity of PS210 is assessed using cell-free kinase assays. Recombinant PDK1 is incubated with a substrate peptide and ATP in the presence of varying concentrations of PS210. The phosphorylation of the substrate is measured using a radioactive (e.g., [32P]ATP) or a fluorescence-based method. The EC50 or Kd is determined from dose-response curves. For selectivity profiling, PS210 is tested against a panel of 121 kinases using standard kinase activity assays. The compound's binding to the PIF-binding pocket can be confirmed using surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC).
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| Cell Assay |
For cellular assays, various cancer cell lines are used. Cells are cultured in appropriate media and treated with various concentrations of PS210 (typically 0.1-100 µM) for defined periods (1-48 hours). The phosphorylation of PDK1 substrates (e.g., Akt at Ser473, PKC, SGK) is analyzed by Western blotting using phospho-specific antibodies. Cell viability is assessed using MTT or CellTiter-Glo assays. Apoptosis is evaluated by measuring caspase-3/7 activity or by flow cytometry using Annexin V/PI staining. Cell cycle progression is analyzed by flow cytometry using propidium iodide staining.
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| Animal Protocol |
In vivo studies with PS210 are not detailed in the provided search results. As an anticancer compound, it would be administered to mice bearing tumor xenografts. The compound would be formulated in a suitable vehicle and administered at various doses (typically 10-100 mg/kg) via intraperitoneal or oral administration. Tumor growth would be monitored over time, and the efficacy would be assessed by tumor growth inhibition. Pharmacodynamic studies could be performed by collecting tumor tissue and analyzing the phosphorylation of PDK1 substrates.
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| ADME/Pharmacokinetics |
PS210 has a molecular weight of 328.38 g/mol and is soluble in DMSO at 76 mg/mL (199.83 mM). It is a prodrug. The compound should be stored at -20°C under appropriate conditions. Its stability in solution is limited, and it should be used promptly after dissolution. Specific pharmacokinetic data is not available in the provided search results.
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| Toxicity/Toxicokinetics |
Specific toxicity data for PS210 is not available in the provided search results. As a PDK1 modulator, it may affect normal cellular processes that depend on PDK1 signaling, including cell growth, survival, and metabolism. The compound's selectivity for PDK1 over other kinases may limit off-target toxicity. However, comprehensive toxicological studies are required to establish its full safety profile. The compound should be handled with standard laboratory safety precautions.
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| References | |
| Additional Infomation |
Phosphatidylinositol-dependent kinase-1 modulator; structure described in the first article.
PS210 is a research compound used to study the function of PDK1 in cellular signaling and cancer. Its unique mechanism of action—activating PDK1 in vitro but inhibiting it in cells—makes it a valuable tool for investigating the complex regulation of PDK1 activity and its role in various cellular processes. The compound's high selectivity for PDK1 over other kinases makes it a useful probe for studying PDK1-specific functions. PS210 is not approved for clinical use and is intended for research purposes only. It is available from chemical suppliers for research applications. |
| Molecular Formula |
C19H15F3O5
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|---|---|
| Molecular Weight |
380.314616441727
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| Exact Mass |
380.087
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| Elemental Analysis |
C, 60.00; H, 3.98; F, 14.99; O, 21.03
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| CAS # |
1221962-86-2
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| Related CAS # |
(R)-PS210;1410101-89-1
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| PubChem CID |
66760004
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| Appearance |
White to off-white solid powder
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| LogP |
3.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
27
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| Complexity |
532
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C(F)(F)F)C(C(=O)O)C(=O)O
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| InChi Key |
MLJPLHGJBUWCBA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)
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| Chemical Name |
2-(3-Oxo-1-phenyl-3-(4-(trifluoromethyl)phenyl)propyl)malonic acid
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| Synonyms |
PS 210; PS-210; PS210
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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: 76~100 mg/mL (199.8~262.9 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.57 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 (6.57 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (6.57 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6294 mL | 13.1472 mL | 26.2943 mL | |
| 5 mM | 0.5259 mL | 2.6294 mL | 5.2589 mL | |
| 10 mM | 0.2629 mL | 1.3147 mL | 2.6294 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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