IUPAC/Chemical Name
4-Thiazolidinone, 5-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, (+-)-
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)
SMILES Code
O=C1NCSC1CC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
321.48
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Huang J, Chen S, Guzei IA, Yu L. Discovery of a solid solution of enantiomers in a racemate-forming system by seeding. J Am Chem Soc. 2006 Sep 13;128(36):11985-92. PubMed PMID: 16953640.
2: Yu L, Huang J, Jones KJ. Measuring free-energy difference between crystal polymorphs through eutectic melting. J Phys Chem B. 2005 Oct 27;109(42):19915-22. PubMed PMID: 16853575.
3: Ekins S, Bravi G, Binkley S, Gillespie JS, Ring BJ, Wikel JH, Wrighton SA. Three- and four-dimensional-quantitative structure activity relationship (3D/4D-QSAR) analyses of CYP2C9 inhibitors. Drug Metab Dispos. 2000 Aug;28(8):994-1002. PubMed PMID: 10901712.
4: Clay MP, Hanssen BR, Surapaneni SS, Lindstrom TD. Stereoselective metabolism of tazofelone, an anti-inflammatory bowel disease agent, in rats and dogs and in human liver microsomes. Chirality. 1999;11(3):233-40. PubMed PMID: 10079502.
5: Surapaneni SS, Clay MP, Spangle LA, Paschal JW, Lindstrom TD. In vitro biotransformation and identification of human cytochrome P450 isozyme-dependent metabolism of tazofelone. Drug Metab Dispos. 1997 Dec;25(12):1383-8. PubMed PMID: 9394028.