PXL770 is a direct AMP kinase activator. PXL770 can be used in the study of non-alcoholic fatty liver disease (NAFLD).

Physicochemical Properties

Molecular Formula	C23H18CLNO3S
Molecular Weight	423.91
Exact Mass	423.069
CAS #	1523493-53-9
PubChem CID	72700732
Appearance	White to off-white solid powder
Density	1.455±0.06 g/cm3(Predicted)
Boiling Point	629.5±55.0 °C(Predicted)
LogP	6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	29
Complexity	679
Defined Atom Stereocenter Count	0
SMILES	C12SC(Cl)=C(C3=CC=C4C(=C3O)CCCC4)C=1C(O)=C(C1=CC=CC=C1)C(=O)N2
InChi Key	KPNBBJGVCJQHBR-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H18ClNO3S/c24-21-17(15-11-10-12-6-4-5-9-14(12)19(15)26)18-20(27)16(13-7-2-1-3-8-13)22(28)25-23(18)29-21/h1-3,7-8,10-11,26H,4-6,9H2,(H2,25,27,28)
Chemical Name	2-chloro-4-hydroxy-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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].Efficacy and safety of PXL770, a direct AMP kinase activator, for the treatment of non-alcoholic fatty liver disease (STAMP-NAFLD): a randomised, double-blind, placebo-controlled, phase 2a study. Lancet Gastroenterol Hepatol. 2021, 6, 11.

Solubility Data

Solubility (In Vitro)

DMSO :~120 mg/mL (~283.08 mM; with sonication)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3 mg/mL (7.08 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 30.0 mg/mL clear DMSO stock solution and add it to 400 μL PEG300 and mix well. Then add 50 μL Tween-80 to the above system and mix well. Then continue to add 450 μL of physiological saline to make up to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O 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	2.3590 mL	11.7950 mL	23.5899 mL
	5 mM	0.4718 mL	2.3590 mL	4.7180 mL
	10 mM	0.2359 mL	1.1795 mL	2.3590 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.