ベダキリンのマレイン酸塩の結晶構造解析
Five crystal structures of bedaquilinium maleate salts were determined, encompassing a hemihydrate, a tetrahydrofuran solvate, a mixed acetone/hexane solvate, an ethyl acetate solvate, and a solvent-free form obtained via single-crystal-to-single-crystal desolvation. Bedaquiline is a key agent against drug-resistant tuberculosis and is commercially available as its fumarate salt, yet structural data on alternative salts remain limited. In all five structures, the cation-to-anion ratio is 1:1, with the anion existing as monoanionic hydromaleate and the bedaquilinium cation being singly protonated. The maleate anion displays the characteristic strong intramolecular hydrogen bond associated with dicarboxylic acid anions. Cation conformations and intermolecular packing interactions across the maleate series were systematically compared with those of free-base bedaquiline and previously reported bedaquilinium salts.
The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).
See also:
https://h2-papers.org/en/papers/33936772