Ozagrel Sodium (formerly known as KCT-0809 and Cataclot) is the sodium salt of Ozagrel (also known as OKY-046) which is a potent and selective thromboxane A(2) (TXA(2)) synthetase inhibitor with IC50 of 11 nM for rabbit platelet, it is used for the improvement of postoperative cerebrovascular contraction and accompanying cerebral ischaemia. Ozagrel inhibits the production of thromboxane A(2) induced by oleic acid (OA), which in turn raises the total protein concentration, neutrophil and macrophage counts in bronchoalveolar lavage fluid, and increases the expression of interleukin-8 mRNA and monocyte chemoattractant protein-1 in the guinea pigs' entire lung.

Physicochemical Properties

Molecular Formula	C13H11N2NAO2
Molecular Weight	250.2328
Exact Mass	250.071
Elemental Analysis	C, 62.40; H, 4.43; N, 11.20; Na, 9.19; O, 12.79
CAS #	189224-26-8
Related CAS #	Ozagrel; 82571-53-7; Ozagrel hydrochloride; 78712-43-3
PubChem CID	23663942
Appearance	White to off-white solid powder
Boiling Point	468ºC at 760 mmHg
Flash Point	236.8ºC
LogP	0.694
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Complexity	289
Defined Atom Stereocenter Count	0
SMILES	O=C([O-])/C=C/C1=CC=C(CN2C=CN=C2)C=C1.[Na+]
InChi Key	NCNYJCOBUTXCBR-IPZCTEOASA-M
InChi Code	InChI=1S/C13H12N2O2.Na/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);/q;+1/p-1/b6-5+;
Chemical Name	sodium;(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoate
Synonyms	Ozagrel Sodium; KCT-0809; KCT 0809; KCT0809; Cataclot Xanbo
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

Targets	TXA2
ln Vitro	In vitro activity: Ozagrel raised 6-keto-PGF1 alpha, one of PGI2's stable metabolites, in a variety of isolated cells and tissues, possibly through PG endoperoxides that accumulated as a result of TXA2 synthase inhibition.
ln Vivo	Ozagrel inhibits the production of thromboxane A(2) induced by oleic acid (OA), which in turn raises the total protein concentration, neutrophil and macrophage counts in bronchoalveolar lavage fluid, and increases the expression of interleukin-8 mRNA and monocyte chemoattractant protein-1 in the guinea pigs' entire lung. Ozagrel (3 mg/kg) reduces the cortical infarction's area and volume in rats following ischemia-reperfusion of the middle cerebral artery. Additionally, obagrel suppresses the neurologic deficits in the rat model of microthrombosis. In the conscious cerebral ischemia-reperfusion mouse model, omeprazole ameliorates the reduced spontaneous locomotor activity and the blockage of motor coordination. Ozagrel recovers the postischemic decrease in cortical PO(2) following middle cerebral artery occlusion-reperfusion in cats and suppresses the decrease in specific gravity of the brain tissue caused by the occlusion-reperfusion in the conscious cerebral ischemia-reperfusion SHR model. Along with improving the reduced spontaneous locomotor activity in the conscious cerebral ischemia-reperfusion mouse model, oxagrel also raises the level of 6-keto-PGF(1alpha), a metabolite of prostaglandin I(2) (PGI(2)), in the brain tissue following cerebral ischemia-reperfusion. In intravenous oxagrel-treated guinea pigs, the decrease in Pao(2) and pulmonary vascular hyper-permeability are prevented 30 minutes prior to oleic acid injection. Additionally, oxagrel prevents increases in the weight ratio of TXB(2) to 6-keto prostaglandin F(1alpha) in guinea pig bronchoalveolar lavage fluid, which is a measure of lung cell injury.
Animal Protocol	3 mg/kg Guinea pigs
References	[1]. J Pharmacol Sci . 2009 Oct;111(2):211-5. [2]. Pharmacology . 1999 Nov;59(5):257-65.

Solubility Data

Solubility (In Vitro)

H2O: ~50 mg/mL (~199.8 mM) DMSO: 1~6.3 mg/mL (4~25 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.62 mg/mL (2.48 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 6.2 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: ≥ 0.62 mg/mL (2.48 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 6.2 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: 70 mg/mL (279.74 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.9963 mL	19.9816 mL	39.9632 mL
	5 mM	0.7993 mL	3.9963 mL	7.9926 mL
	10 mM	0.3996 mL	1.9982 mL	3.9963 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.