| 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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PS210 (PS-210) is a novel and potent activator (in vitro) or inhibitor (in cells) of protein kinase PDK1 with anticancer activity. It does not affect any of the 121 kinases, such as S6K, PKB/Akt, or GSK3, and instead targets the PDK1-interacting fragment (PIF)-binding pocket. PS210 is a powerful PDK1 activator in vitro, and the crystal structure of the PDK1-ATP-PS210 complex demonstrates that PS210 stimulates the kinase domain's closure. While not affecting PKB/Akt, the prodrug of PS210 (PS423) functions in cells as a substrate-selective inhibitor of PDK1, preventing the phosphorylation and activation of S6K, which requires docking to the PIF-pocket.
| Targets |
PDK1 (Kd = 3 μM)
|
|---|---|
| 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].
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| References |
| Molecular Formula |
C19H15F3O5
|
|---|---|
| Molecular Weight |
380.314616441727
|
| 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
|
| Hydrogen Bond Acceptor Count |
8
|
| 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
|
| InChi Key |
MLJPLHGJBUWCBA-UHFFFAOYSA-N
|
| 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)
|
| 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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