{4(S)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido]butyl}guanidinium chloride: a model of a graftable thrombin inhibitor.

Michaux, Catherine;Salvagnini, Claudio;Norberg, Bernadette;Marchand-Brynaert, Jacqueline;Wouters, Johan
(2006) Acta crystallographica. Section C, Crystal structure communications — Vol. 62, n° Pt 12, p. o691-3 (2006)

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Authors
  • Michaux, CatherineUnamur
    Author
  • Salvagnini, ClaudioUCLouvain
    Author
  • Norberg, BernadetteUnamur
    Author
  • Marchand-Brynaert, JacquelineUCLouvain
    Author
  • Wouters, JohanUnamur
    Author
Abstract
In the title compound, C18H27F3N5O3S+.Cl-, the guanidine group forms N-H...Cl hydrogen bonds, with four N...Cl distances in the range 3.164 (3)-3.337 (4) A. In the crystal packing, the cations are further linked by N-H...O and C-H...O interactions. The structure is compared with that of argatroban complexed with thrombin and is the subject of docking studies in the active site of thrombin.
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Michaux, C., Salvagnini, C., Norberg, B., Marchand-Brynaert, J., & Wouters, J. (2006). {4(S)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido]butyl}guanidinium chloride: a model of a graftable thrombin inhibitor. Acta crystallographica. Section C, Crystal structure communications, 62(Pt 12), o691-3. https://doi.org/10.1107/S0108270106047640 (Original work published 2006)