PKR activator 3 is an activator of pyruvate kinase PKR subtype. For more details, check and find compound 160 from the patent WO2014139144A1. PKR activator 3 can be used for research on diseases related to PKR function like cancer, diabetes, obesity, autoimmune diseases, benign prostatic hyperplasia, etc.

Physicochemical Properties

Molecular Formula	C24H28N4O4S
Molecular Weight	468.568524360657
Exact Mass	468.183
CAS #	1628428-01-2
PubChem CID	86295470
Appearance	White to light yellow solid powder
Density	1.3±0.1 g/cm3
Boiling Point	681.5±65.0 °C at 760 mmHg
Flash Point	365.9±34.3 °C
Vapour Pressure	0.0±2.2 mmHg at 25°C
Index of Refraction	1.644
LogP	1.12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	33
Complexity	768
Defined Atom Stereocenter Count	0
InChi Key	JTGUGSWLWPKCGF-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H28N4O4S/c1-17(2)16-24(30)10-14-28(15-11-24)23(29)18-6-8-19(9-7-18)27-33(31,32)21-5-3-4-20-22(21)26-13-12-25-20/h3-9,12-13,17,27,30H,10-11,14-16H2,1-2H3
Chemical Name	N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide
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

References

[1]. Preparation of N-(piperidinecarbonylphenyl) sulfonamide compounds as pyruvate kinase modulators. From PCT Int. Appl. (2014), WO2014139144A1 20140918.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~106.71 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.34 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 (5.34 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1342 mL	10.6708 mL	21.3415 mL
	5 mM	0.4268 mL	2.1342 mL	4.2683 mL
	10 mM	0.2134 mL	1.0671 mL	2.1342 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.