Heterocyclic core analogs of a direct thrombin inhibitor was written by Blizzard, Timothy A.;Singh, Sanjay;Patil, Basanagoud;Chidurala, Naresh;Komanduri, Venukrishnan;Debnath, Samarpita;Belyakov, Sergei;Crespo, Alejandro;Struck, Alice;Kurtz, Marc;Wiltsie, Judyann;Shen, Xun;Sonatore, Lisa;Arocho, Marta;Lewis, Dale;Ogletree, Martin;Biftu, Tesfaye. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2014.Computed Properties of C21H21NO4 The following contents are mentioned in the article:
Thrombin is a serine protease that plays a key role in blood clotting. Pyrrolidine I•TFA is a potent thrombin inhibitor discovered at Merck several years ago. Seven analogs of I•TFA in which the pyrrolidine core was replaced with various heterocycles were prepared and evaluated for activity against thrombin, clotting factors VIIa, IXa, Xa, and XIIa, and trypsin. The thiomorpholine analog II•TFA was the most active, essentially matching the thrombin inhibitory activity of I•TFA with slightly improved selectivity over trypsin. This study involved multiple reactions and reactants, such as (S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-2-carboxylic acid (cas: 86069-86-5Computed Properties of C21H21NO4).
(S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-2-carboxylic acid (cas: 86069-86-5) belongs to piperidine derivatives. The piperidine ring can be found not only in more than half of the currently known structures of alkaloids, but also in many natural or synthetic compounds with interesting biological activities. Piperidine prefers a chair conformation, similar to cyclohexane. Unlike cyclohexane, piperidine has two distinguishable chair conformations: one with the N–H bond in an axial position, and the other in an equatorial position.Computed Properties of C21H21NO4
Referemce:
Piperidine – Wikipedia,
Piperidine | C5H11N – PubChem