Triazamacrocycle-derived chelator compositions for coordination of imaging and therapy metal ions and methods of using same

A compound having the structure:

• wherein
• n is 0 or 1;
• Y1, Y2 and Y3 are each, independently, —H, alkylheteroaryl, alkyl-CO2H, alkylaryl-CO2H, alkylheteroaryl-CO2H, alkyl-CO2R4, alkylaryl-CO2R4, alkylheteroaryl-CO2R4, alkyl-OH, alkylaryl-OH, alkylheteroaryl-OH, alkyl-N(alkylaryl)2, alkyl-N(alkylaryl-CO2H)2, alkyl-N(alkylheteroaryl-CO2H)2, alkyl-N(alkylaryl-CO2R4)2, alkyl-N(alkylheteroaryl-CO2R4)2, alkyl-N(alkylaryl-OH)2, alkyl-N(alkylheteroaryl-OH)2, alkyl-N(alkyl-CO2H)2, alkyl-N (alkylaryl-OH) (alkyl-CO2H), alkyl-N(alkylheteroaryl-OH) (alkyl-CO2H), alkyl-P(O) (OH)2, alkylaryl-P(O) (OH)2 and alkylheteroaryl-P(O) (OH)2,
• wherein each occurrence of R4 is, independently, —H, alkyl, alkenyl, alkynyl, alkyl-aryl, alkyl-heteroaryl, aryl, heteroaryl, alkyl-CF3 or —Si(alkyl)3;
• Z1 is
• wherein X1 is NH, O or S, and
• Y4 is —CO2H, —CO2R5, aryl-CO2H, heteroaryl-CO2H, aryl-CO2R5 or heteroaryl-CO2R5,
• wherein each occurrence of R5 is, independently, —H, alkyl, alkenyl, alkynyl, alkyl-aryl, alkyl-heteroaryl, aryl, heteroaryl, alkyl-CF3 or —Si (alkyl)3;
• A is a targeting moiety;
• and
• L is a chemical linker,
• or a pharmaceutically acceptable salt of the compound.