Dahlgren, Anders; Johansson, Per-Ola; Kvarnstrom, Ingemar; Musil, Djordje; Nilsson, Ingemar; Samuelsson, Bertil published the artcile< Novel Morpholinone-Based D-Phe-Pro-Arg Mimics as Potential Thrombin Inhibitors: Design, Synthesis, and X-ray Crystal Structure of an Enzyme Inhibitor Complex>, Synthetic Route of 617-55-0, the main research area is morpholinone tripeptide analog preparation thrombin inhibitor MSBAR; reductive amination ring closure preparation morpholinone tripeptide thrombin inhibitor; crystal structure thrombin morpholinone tripeptide inhibitor.
A morpholinone structural motif derived from D(+)- and L(-)-malic acid has been used as a mimic of D-Phe-Pro in the thrombin inhibiting tripeptide D-Phe-Pro-Arg. In place of Arg the more rigid P1 truncated p-amidinobenzylamine (Pab) or 2-amino-5-aminomethyl-3-methyl-pyridine have been utilized. The synthetic strategy developed readily delivers these novel thrombin inhibitors used to probe the α-thrombin inhibitor binding site. The best candidate (I) in this series of thrombin inhibitors exhibits an in vitro IC50 of 720 nM.3. The X-ray crystal structure of I co-crystallized with α-thrombin is discussed.
Bioorganic & Medicinal Chemistry published new progress about Crystal structure. 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Synthetic Route of 617-55-0.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics