Biochanin A-7-O-β-D-glucuronide

CAS: 38482-76-7

Ref. TR-B387260

Información del producto

• Nombre: Biochanin A-7-O-β-D-glucuronide
• Sinónimos: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

Descripción

Applications Biochanin A-7-O-β-D-glucuronide is a metabolite of Biochanin A (B387250), an isoflavone with anticancer proliferation, differentiation and chemopreventitive properties. Acyl glucuronides have been linked with the toxic properties of drugs that contain carboxylic acid moieties. Multiple experiments have explored the potential biologic and toxicologic effects of acyl glucuronide metabolites of various drugs.
References Chae, Y.H., et al.: Chem. Biol. Interactions, 82, 181 (1992), Jing, Y. and Waxman, S.: Anticancer Res., 15(4), 1147 (1995) Shipkova M., et al.: Ther. Drug. Monit., 25, 1 (2003); Regan, L., et al.: Biopharm. Drug. Dispos., 31, 367 (2010);

• Marca: TRC

Propiedades químicas

• Peso molecular: 460.388
• Fórmula: C₂₂H₂₀O₁₁
• Color/Forma: Neat
• InChI: InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)12-8-31-14-7-11(6-13(23)15(14)16(12)24)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1
• Clave InChI: InChIKey=KXYGEGYBMOCKNJ-SXFAUFNYSA-N
• SMILES: COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1