886844-76-4

Basic information

• Product Name: 3-(3-aminophenyl)-1,2,4-oxadiazole-5(4H)-thione
• Synonyms: 3-(3-aminophenyl)-1,2,4-oxadiazole-5(4H)-thione
• CAS NO: 886844-76-4
• Molecular Weight: 193.229
• Mol File: 886844-76-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 3-(3-aminophenyl)-1,2,4-oxadiazole-5(4H)-thione(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3-aminophenyl)-1,2,4-oxadiazole-5(4H)-thione(886844-76-4)
• EPA Substance Registry System: 3-(3-aminophenyl)-1,2,4-oxadiazole-5(4H)-thione(886844-76-4)

Safety Data

• Hazardous Substances Data: 886844-76-4(Hazardous Substances Data)

Upstream product

• 145878-50-8 3-(3-tert-butoxycarbonylamino)benzonitrile 
• 145878-49-5 3-Boc-amino-N-hydroxybenzamidine 

Relevant articles and documents

Design of pentapeptidic BACE1 inhibitors with carboxylic acid bioisosteres at P1′ and P4 positions

We previously reported potent BACE1 inhibitors KMI-420 and KMI-570 possessing a hydroxymethylcarbonyl isostere as a substrate transition-state mimic. Acidic moieties at the P1′ and P4 positions of KMI inhibitors are thought to be unfavorable in terms of membrane permeability across the blood-brain barrier. Herein, we replaced acidic moieties at the P4 position with hydrogen bond accepting groups and acidic moieties at the P1′ position with less acidic and similar molecular-size moieties (carboxylic acid or tetrazole bioisosteres). These inhibitors exhibited improved BACE1 inhibitory activities and a thorough quantitative structure-activity relationship study was performed.