Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, 179474-79-4, Name is 1-(3-Methoxypropyl)piperidin-4-amine, SMILES is COCCCN1CCC(N)CC1, belongs to piperidines compound. In a document, author is Tanuma, Sei-ichi, introduce the new discover, COA of Formula: C9H20N2O.
Inhibition of nicotinamide phosphoribosyltransferase (NAMPT) is an attractive therapeutic strategy for targeting cancer metabolism. So far, many potent NAMPT inhibitors have been developed and shown to bind to two unique tunnel-shaped cavities existing adjacent to each active site of a NAMPT homodimer. However, cytotoxicities and resistances to NAMPT inhibitors have become apparent. Therefore, there remains an urgent need to develop effective and safe NAMPT inhibitors. Thus, we designed and synthesized two close structural analogues of NAMPT inhibitors, azaindole-piperidine (3a)- and azaindole-piperazine (3b)-motif compounds, which were modified from the well-known NAMPT inhibitor FK866 (1). Notably,3adisplayed considerably stronger enzyme inhibitory activity and cellular potency than did3band1. The main reason for this phenomenon was revealed to be due to apparent electronic repulsion between the replaced nitrogen atom (N1) of piperazine in3band the N delta atom of His191 in NAMPT by our in silico binding mode analyses. Indeed,3bhad a lower binding affinity score than did3aand1, although these inhibitors took similar stable chair conformations in the tunnel region. Taken together, these observations indicate that the electrostatic enthalpy potential rather than entropy effects inside the tunnel cavity has a significant impact on the different binding affinity of3afrom that of3bin the disparate enzymatic and cellular potencies. Thus, it is better to avoid or minimize interactions with His191 in designing further effective NAMPT inhibitors.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 179474-79-4 is helpful to your research. COA of Formula: C9H20N2O.
Reference:
Piperidine – Wikipedia,
,Piperidine | C5H11N – PubChem