(R)-PS210 is the R enantiomer of PS210 (compound 4h-eutomer) and is a substrate-selective allosteric activator of PDK1 with an AC50 value of 1.8 μM. (R)-PS210 targets the PIF binding pocket of PDK1. PIF: protein kinase C-related kinase 2 (PRK2) interacting fragment.

Physicochemical Properties

Molecular Formula	C19H15F3O5
Molecular Weight	380.314616441727
Exact Mass	380.087
CAS #	1410101-89-1
Related CAS #	PS210;1221962-86-2
PubChem CID	60196221
Appearance	White to off-white solid powder
LogP	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	27
Complexity	532
Defined Atom Stereocenter Count	1
SMILES	FC(C1C=CC(=CC=1)C(C[C@@H](C1C=CC=CC=1)C(C(=O)O)C(=O)O)=O)(F)F
InChi Key	MLJPLHGJBUWCBA-AWEZNQCLSA-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)/t14-/m0/s1
Chemical Name	2-[(1R)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]propanedioic acid
Synonyms	(R)PS 210; (R) PS-210
HS Tariff Code	2934.99.9001
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)

Biological Activity

ln Vitro	In a cell-free kinase activity assay, (R)-PS210 displays an AC50 value of 1.8 μM against PDK1. In comparison to the DMSO control of (R)-PS210, the maximum activation of PDK1 was 5.5 times greater [1].
References	[1]. 2-(3-Oxo-1,3-diphenylpropyl)malonic acids as potent allosteric ligands of the PIF pocket of phosphoinositide-dependent kinase-1: development and prodrug concept.J Med Chem. 2012 Nov 26;55(22):9817-30.

Solubility Data

Solubility (In Vitro)

DMSO : ~230 mg/mL (~604.77 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5.75 mg/mL (15.12 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 57.5 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: ≥ 5.75 mg/mL (15.12 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 57.5 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. Solubility in Formulation 3: ≥ 5.75 mg/mL (15.12 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 57.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

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.