Mono‐(l)‐aspartylchlorin‐e6†‡

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Abstract
Mono‐(l)‐aspartylchlorin‐e6 (also known as Talaporfin, NPe6, MACE, and most recently LS‐11) is a potent sensitizer for photodynamic therapy that is currently undergoing clinical trials. Using a combination of unambiguous partial synthesis from pheophytin‐a and methyl pheophorbide‐a, NMR spectroscopy, and single crystal X‐ray diffraction, the structure of mono‐(l)‐aspartylchlorin‐e6 is definitively shown to be the isomer in which the aspartyl residue is attached at the 152‐side chain position. This conclusion is contrary to earlier assumptions, but affirms the conclusions of a study based on NMR spectroscopy; a rationale for the unique formation of the 152‐aspartyl derivative is proposed.

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