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@ARTICLE{Kopp:282875,
      author       = {I. Kopp and P. Cieslik and K. Anger and T. Josephy and L.
                      Neupert and G. Velmurugan and M. Gast and H. Wadepohl and S.
                      A. Brühlmann and M. Walther and K. Kopka$^*$ and M.
                      Bachmann and H. Stephan and M. Kubeil and P. Comba},
      title        = {{B}ispidine {C}helators for {R}adiopharmaceutical
                      {A}pplications with {L}anthanide, {A}ctinide, and {M}ain
                      {G}roup {M}etal {I}ons.},
      journal      = {Inorganic chemistry},
      volume       = {62},
      number       = {50},
      issn         = {0020-1669},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {DKFZ-2023-01877},
      pages        = {20754-20768},
      year         = {2023},
      note         = {2023 Dec 18;62(50):20754-20768},
      abstract     = {Octadentate and specifically nonadentate ligands with a
                      bispidine scaffold (3,7-diazabicyclo[3.3.1]nonane) are known
                      to be efficiently coordinated to a range of metal ions of
                      interest in radiopharmaceutical chemistry and lead to
                      exceedingly stable and inert complexes. Nonadentate
                      bispidine L2 (with a tridentate bipyridine acetate appended
                      to N3 and a picolinate at N7) has been shown before to be an
                      ideal chelator for 111In3+, 177Lu3+, and 225Ac3+, nuclides
                      of interest for diagnosis and therapy, and a
                      proof-of-principle study with an SSTR2-specific octreotate
                      has shown potential for theranostic applications. We now
                      have extended these studies in two directions. First, we
                      present ligand derivative L3, in which the bipyridine
                      acetate is substituted with terpyridine, a softer donor for
                      metal ions with a preference for more covalency. L3 did not
                      fulfill the hopes because complexation is much less
                      efficient. While for Bi3+ and Pb2+ the ligand is an
                      excellent chelator with properties similar to those of L2,
                      Lu3+ and La3+ show very slow and inefficient complexation
                      with L3 in contrast to L2, and 225Ac3+ is not fully
                      coordinated, even at an increased temperature $(92\%$
                      radiochemical yield at 80 °C, 60 min, [L3] = 10-4 M). These
                      observations have led to a hypothesis for the complexation
                      pathway that is in line with all of the experimental data
                      and supported by a preliminary density functional theory
                      analysis, which is important for the design of further
                      optimized bispidine chelators. Second, the coordination
                      chemistry of L2 has been extended to Bi3+, La3+, and Pb2+,
                      including solid state and solution structural work, complex
                      stabilities, radiolabeling, and radiostability studies. All
                      complexes of this ligand (La3+, Ac3+, Lu3+, Bi3+, In3+, and
                      Pb2+), including nuclides for targeted α therapy (TAT),
                      single-photon emission computed tomography, and positron
                      emission tomography, are formed efficiently under
                      physiological conditions, i.e., suitable for the labeling of
                      delicate biological vectors such as antibodies, and the
                      complexes are very stable and inert. Importantly, for TAT
                      with 225Ac, the daughter nuclides 213Bi and 209Pb also form
                      stable complexes, and this is important for reducing damage
                      to healthy tissue.},
      cin          = {DD01},
      ddc          = {540},
      cid          = {I:(DE-He78)DD01-20160331},
      pnm          = {899 - ohne Topic (POF4-899)},
      pid          = {G:(DE-HGF)POF4-899},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:37707798},
      doi          = {10.1021/acs.inorgchem.3c02340},
      url          = {https://inrepo02.dkfz.de/record/282875},
}