Synthesis and antibody-labeling studies with the p-isothiocyanatobenzene derivatives of 1,2-dicarba-closo-dodecaborane(12) and the dodecahydro-7,8-diarba-nido-undecaborate (1-) ion for neutron-capture therapy of human cancer. Crystal and molecular structure of Cs+(nido-7-(p-C6H4NCS)-9-I-7,8-C2B9H11)-

To investigate the boron-10 labeling of tumor-localizing antibodies, new boron-containing compounds that can be used to conjugate antibody protein have been synthesized. These include the p-isothiocyanatophenyl derivatives of 1,2-dicarba-closo-dodecaborane(12) and the dodecahydro-7,8-dicarba-nido-undecaborate(1-) ion. Antibody-labeling studies using some of these compounds are described. In addition, the cesium salt of the 7-(p-isothiocyanatophenyl)-9-iodododecahydro-7,8-dicarba-nido-undecaborate(1-) ion, synthesized using formal I+ that had been generated by the action of N-chloro-p-toluenesulfonamide on sodium iodide in phosphate buffer, has been characterized by single-crystal, X-ray diffraction methods, and the crystal parameters are recorded. Diffraction data to 2 theta = 540 (Mo Kα radiation) were collected on a Syntex P1 diffractometer, and the structure was solved by conventional heavy-atom methods. The final discrepancy indices were R = 0.051 and R/sub w/ = 0.061, for 2664 independent reflections. The structure was found to be disordered, with the title compound and its enantiomer occupying the same positions in the unit cell