Febuxostat sec-butoxy acid

• CAT Number: I014938
• CAS Number: 1335202-59-9
• Molecular Formula: C16H16N2O3S
• Molecular Weight: 316.37
• Purity: ≥95%
• Synonyms: 2-(4-butan-2-yloxy-3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
• InChI: InChI=1S/C16H16N2O3S/c1-4-9(2)21-13-6-5-11(7-12(13)8-17)15-18-10(3)14(22-15)16(19)20/h5-7,9H,4H2,1-3H3,(H,19,20)
• InChIKey: HNNODDVYKUBOBQ-UHFFFAOYSA-N
• SMILES: CCC(C)OC1=C(C=C(C=C1)C2=NC(=C(S2)C(=O)O)C)C#N

Febuxostat sec-butoxy acid is an impurity of Febuxostat. Febuxostat is selective xanthine oxidase inhibitor with a Ki of 0.6 nM[1].

Reference

[1]. Takano Y, et al. Selectivity of febuxostat, a novel non-purine inhibitor of xanthine oxidase/xanthine dehydrogenase. Life Sci, 2005, 76(16), 1835-1847.
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