Structure-activity relationship studies of a series of peptidomimetic ligands for α4β1 integrin on Jurkat T-leukemia cells was written by Liu, Ruiwu;Peng, Li;Han, Huijun;Lam, Kit S.. And the article was included in Biopolymers in 2006.Computed Properties of C21H21NO4 The following contents are mentioned in the article:
α4β1 Integrin is a therapeutic target for inflammation, autoimmune diseases, and lymphoid cancers. A series of peptidomimetic ligands based on the Nle-D-I motif have been synthesized and their binding affinities (IC50) to activated α4β1 integrin on Jurkat T-leukemia cells were determined using a cell adhesion assay. One of the 51 ligands, peptide I, has an IC50 = 0.6 nM, more than two fold increase of binding affinity than the initial lead compound II. Extensive SAR studies provided important information for further ligand optimization, which has served as a foundation for studies that ultimately led to identification of a potent ligand with an IC50 = 2 pM. 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.Piperidine is a key saturated heterocyclic scaffold found in several of the top-selling small molecule pharmaceuticals and natural alkaloids, with a diverse range of 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