Ocarocoxib, a potent COX-2 (cyclooxygenase-2) inhibitor, is a veterinary non-steroidal anti~inflammatory drug.

Physicochemical Properties

Molecular Formula	C12H6O4F6
Molecular Weight	328.16404
Exact Mass	328.017
CAS #	215122-22-8
PubChem CID	9883880
Appearance	Typically exists as solid at room temperature
LogP	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Heavy Atom Count	22
Complexity	469
Defined Atom Stereocenter Count	0
InChi Key	CSOISVJKLBMNCK-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H6F6O4/c13-11(14,15)9-7(10(19)20)4-5-3-6(22-12(16,17)18)1-2-8(5)21-9/h1-4,9H,(H,19,20)
Chemical Name	6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
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]. Carter, Jeffery S, et, al.Substituted benzopyran derivatives for the treatment of inflammation. WO9847890 .

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (304.73 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.34 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 20.8 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 2: ≥ 2.08 mg/mL (6.34 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 20.8 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	3.0473 mL	15.2365 mL	30.4729 mL
	5 mM	0.6095 mL	3.0473 mL	6.0946 mL
	10 mM	0.3047 mL	1.5236 mL	3.0473 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.