Tazofelone (LY 213829) is a cyclooxygenase-II (COX-II) inhibitor. Conversion of tazofelone to sulfoxide and quinoline metabolites is primarily mediated by CYP3A. Tazofelone may be utilized in the research of inflammatory bowel disease.

Physicochemical Properties

Molecular Formula	C18H27NO2S
Molecular Weight	321.48
Exact Mass	321.176
CAS #	107902-67-0
PubChem CID	68745
Appearance	White to off-white solid powder
LogP	4.047
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	22
Complexity	386
Defined Atom Stereocenter Count	0
SMILES	O=C1NCSC1CC1C=C(C(C)(C)C)C(O)=C(C(C)(C)C)C=1
InChi Key	ILMMRHUILQOQGP-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H27NO2S/c1-17(2,3)12-7-11(9-14-16(21)19-10-22-14)8-13(15(12)20)18(4,5)6/h7-8,14,20H,9-10H2,1-6H3,(H,19,21)
Chemical Name	5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-thiazolidin-4-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
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]. Leopold Franz Goetze,et al. Cox- ii inhibitors for improving reproductive success in a female animal. Patent: WO2007129169 A2. [2]. Surapaneni SS, et al. In vitro biotransformation and identification of human cytochrome P450 isozyme-dependent metabolism of tazofelone. Drug Metab Dispos. 1997 Dec;25(12):1383-8.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (311.06 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.78 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.78 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 25.0 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	3.1106 mL	15.5531 mL	31.1061 mL
	5 mM	0.6221 mL	3.1106 mL	6.2212 mL
	10 mM	0.3111 mL	1.5553 mL	3.1106 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.