Biochanin A-7-O-β-D-glucuronide

CAS : 38482-76-7

Ref. TR-B387260

Informations sur le produit

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

Description

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);

• Marque: TRC

Propriétés chimiques

• Masse moléculaire: 460.388
• Formule: C₂₂H₂₀O₁₁
• Couleur/Forme: 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
• Code 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