title: Analysis of the quantitative structure activity relationship of technetium-99m-labeled diaminedithiol (DADT) and propylene-amine-oxime (PAO) brain blood flow analogues.
abstract: In the search for new brain imaging agents for the use with single photon emission computed tomography (SPECT), quantitative structure activity relationship (QSAR) analysis of the correlations between initial brain uptake and physicochemical parameters like lipophilicity, log P, molecular weight, log MW and log U/D (undissociated/dissociated), of the 99mTc-DADT (diaminedithiol) complexes and 99mTc-PAO (propyleneamineoxime) complexes have been analyzed. High correlations are found for both the 99mTc-DADT complexes (r = 0.94) and for the 99mTc-PAO complexes (r = 0.83) which are significant at 99.9 and 99.5 percentile level, respectively. These results will help the further design of better ligands for 99mTc in brain imaging.
authors.affiliation: School of Pharmacy, Pharmaceutics and Medicinal Chemistry, Radiology Department, University of Southern California, Los Angeles 90033.
authors.forename: M B
authors.initials: MB
authors.lastname: Hui
authors.forename: D C
authors.initials: DC
authors.lastname: Chen
authors.forename: E J
authors.initials: EJ
authors.lastname: Lien
mesh_terms: D001921:Brain / Q000000981:diagnostic imaging* / Q000378:metabolism; D006801:Humans; D015609:Organotechnetium Compounds / Q000737:chemistry / Q000493:pharmacokinetics*; D010091:Oximes / Q000737:chemistry / Q000493:pharmacokinetics*; D013329:Structure-Activity Relationship; D013438:Sulfhydryl Compounds / Q000737:chemistry / Q000494:pharmacology*; D015899:Tomography, Emission-Computed, Single-Photon
chemical_list: D015609:Organotechnetium Compounds; D010091:Oximes; D013438:Sulfhydryl Compounds; C044310:technetium Tc 99m propylene amine oxime