1407969-53-2

Basic information

• Product Name: C₂₇H₂₉F₂N₅O₂
• CAS NO: 1407969-53-2
• Molecular Weight: 493.556
• Mol File: 1407969-53-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₂₇H₂₉F₂N₅O₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₇H₂₉F₂N₅O₂(1407969-53-2)
• EPA Substance Registry System: C₂₇H₂₉F₂N₅O₂(1407969-53-2)

Safety Data

• Hazardous Substances Data: 1407969-53-2(Hazardous Substances Data)

Upstream product

• 143874-13-9 4-ethynyl-1,2-difluorobenzene 
• 1407969-41-8 C₁₉H₂₅N₅O₂ 
• 1407969-38-3 (2S,4S)-tert-butyl 4-azido-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate 
• 132622-65-2 (4S)-1-(tert-butoxycarbonyl)-4-azido-L-proline 

Relevant articles and documents

P2-substituted N-acylprolylpyrrolidine inhibitors of prolyl oligopeptidase: Biochemical evaluation, binding mode determination, and assessment in a cellular model of synucleinopathy

We have investigated the effect of regiospecifically introducing substituents in the P2 part of the typical dipeptide derived basic structure of PREP inhibitors. This hitherto unexplored modification type can be used to improve target affinity, selectivity, and physicochemical parameters in drug discovery programs focusing on PREP inhibitors. Biochemical evaluation of the produced inhibitors identified several substituent types that significantly increase target affinity, thereby reducing the need for an electrophilic warhead functionality. Pronounced PREP specificity within the group of Clan SC proteases was generally observed. Omission of the P1 electrophilic function did not affect the overall binding mode of three representative compounds, as studied by X-ray crystallography, while the P2 substituents were demonstrated to be accommodated in a cavity of PREP that, to date, has not been probed by inhibitors. Finally, we report on results of selected inhibitors in a SH-SY5Y cellular model of synucleinopathy and demonstrate a significant antiaggregation effect on α-synuclein.