Kong Xiaole, Zhou Tao, Neubert Hendrik, Liu Zudong, Hider Robert C
Pharmacy Department and Drug Control Centre/Mass Spectrometry Facility, King's College London, Franklin-Wilkins Building, Stamford Street, London SE1 9NH, UK.
J Med Chem. 2006 May 18;49(10):3028-31. doi: 10.1021/jm050905t.
The pK(a) value and iron affinity constants for 3-hydroxy-2-(5-hydroxypentyl)-4H-chromen-4-one 1 have been determined by spectrophotometry using aqueous methanol solutions. The extrapolated affinity constants beta(1), beta(2), and beta(3)( )()for iron(III) in aqueous solution were 9.95, 18.69, and 26.02, respectively, with a corresponding pFe(3+) value of 14.64. Job plot and MS spectra data demonstrated that the 3:1 species is favored at pH 7.0. These results indicate that 1 acts as a bidentate ligand when coordinated to iron(III).
通过使用甲醇水溶液的分光光度法测定了3-羟基-2-(5-羟基戊基)-4H-色烯-4-酮1的pK(a)值和铁亲和常数。水溶液中铁(III)的外推亲和常数β(1)、β(2)和β(3)分别为9.95、18.69和26.02，相应的pFe(3+)值为14.64。Job曲线和质谱数据表明，在pH 7.0时3:1的物种更有利。这些结果表明，1与铁(III)配位时作为双齿配体。
