Furegrelate Sodium (U-63557A) is a potent, oral, selective thromboxane synthase inhibitor. Furegrelate Sodium inhibits human platelet microsomal thromboxane A2 (TxA2) synthase with IC50 of 15 nM. Furegrelate Sodium is being developed as an active antiplatelet molecule.

Physicochemical Properties

Molecular Formula	C15H10NNAO3
Molecular Weight	275.2346
Exact Mass	275.055
CAS #	85666-17-7
Related CAS #	Furegrelate;85666-24-6
PubChem CID	23663954
Appearance	White to light yellow solid powder
Boiling Point	458.7ºC at 760 mmHg
Flash Point	231.2ºC
LogP	1.782
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	20
Complexity	339
Defined Atom Stereocenter Count	0
InChi Key	XBTIPIZROJAKOJ-UHFFFAOYSA-M
InChi Code	InChI=1S/C15H11NO3.Na/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11;/h1-5,7-9H,6H2,(H,17,18);/q;+1/p-1
Chemical Name	sodium;5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate
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, avoid exposure to moisture.
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 Vivo	Furegrelate Sodium (1–5 mg/kg; IV) inhibits the aggregation of blood vessels brought on by a constricted coronary artery [1]. Intravenous furegrelate sodium (0.1–5 mg/kg) inhibits blood vessel aggregation brought on by constricted coronary arteries [1]. keeps the pulmonary artery structure intact, which prevents the development of hypoxia-induced pulmonary arterial hypertension (PAH) in newborn pigs [2]. Furegrelate has a strong affinity for target enzymes and a prolonged half-life when compared to a number of other medications for the treatment of PAH, such as zinc monoxide and antagonist cycline analogs [2].
Animal Protocol	Animal/Disease Models: Mongrel dog (19-30 kg) [1] Doses: 1-5 mg/kg Route of Administration: Oral (via gastric tube) Experimental Results: Prevention of coronary artery obstruction.
References	[1]. Inhibition of platelet thromboxane A2 synthase activity by sodium 5-(3'-pyridinylmethyl)benzofuran-2-carboxylate. Prostaglandins. 1983 Aug;26(2):325-42. [2]. Furegrelate, a thromboxane synthase inhibitor, blunts the development of pulmonary arterial hypertension in neonatal piglets. Pulm Circ. 2012 Apr-Jun;2(2):193-200.

Solubility Data

Solubility (In Vitro)

DMSO : ~13 mg/mL (~47.23 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.67 mg/mL (6.07 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 16.7 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: ≥ 1.67 mg/mL (6.07 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 16.7 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: ≥ 1.67 mg/mL (6.07 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 16.7 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	3.6333 mL	18.1666 mL	36.3332 mL
	5 mM	0.7267 mL	3.6333 mL	7.2666 mL
	10 mM	0.3633 mL	1.8167 mL	3.6333 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.