JMS-053 is a potent, selective and reversible PTP4A inhibitor (antagonist) with IC50s of 29.1 nM, 48.0 nM, 34.7 nM, 92.6 nM and 207.6 nM for inhibiting PTP4A1, PTP4A2, PTP4A3, CDC25B and DUSP3 respectively. JMS-053 can inhibit cancer/tumor cell migration and spheroid growth, and attenuate the growth of ovarian tumors in vivo.

Physicochemical Properties

Molecular Formula	C13H8N2O2S
Molecular Weight	256.279821395874
Exact Mass	256.03
CAS #	1954650-11-3
PubChem CID	124141953
Appearance	Light brown to brown solid powder
LogP	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	18
Complexity	404
Defined Atom Stereocenter Count	0
SMILES	S1C(C2C=CC=CC=2)=CC2C(NC(C(C1=2)=N)=O)=O
InChi Key	CQHAROORCYWRRH-UHFFFAOYSA-N
InChi Code	InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)
Chemical Name	7-imino-2-phenylthieno[3,2-c]pyridine-4,6-dione
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]. Next-Generation Cell-Active Inhibitors of the Undrugged Oncogenic PTP4A3 Phosphatase. J Pharmacol Exp Ther. 2019 Dec;371(3):652-662.

Solubility Data

Solubility (In Vitro)

DMSO : ~10 mg/mL (~39.02 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 1 mg/mL (3.90 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 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	3.9020 mL	19.5099 mL	39.0198 mL
	5 mM	0.7804 mL	3.9020 mL	7.8040 mL
	10 mM	0.3902 mL	1.9510 mL	3.9020 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.