1160850-94-1

Basic information

• Product Name: C₁₆H₁₃IN₂O₄
• CAS NO: 1160850-94-1
• Molecular Weight: 424.195
• Mol File: 1160850-94-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₆H₁₃IN₂O₄(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₆H₁₃IN₂O₄(1160850-94-1)
• EPA Substance Registry System: C₁₆H₁₃IN₂O₄(1160850-94-1)

Safety Data

• Hazardous Substances Data: 1160850-94-1(Hazardous Substances Data)

Upstream product

• 506423-80-9 4-iodo-pyridine-2,6-dicarboxylic acid 

Downstream Products

• 1160850-87-2 KMI-1293 

Relevant articles and documents

Significance of interactions of BACE1-Arg235 with its ligands and design of BACE1 inhibitors with P2 pyridine scaffold

Recently, we reported potent substrate-based pentapeptidic BACE1 inhibitors possessing a hydroxymethylcarbonyl isostere as a substrate transition-state mimic. Because these inhibitors contained some natural amino acids, we would need to improve their enzymatic stability in vivo and permeability across the blood-brain barrier, so that they become practically useful. Subsequently, non-peptidic and small-sized BACE1 inhibitors possessing a heterocyclic scaffold, 2,6-pyridenedicarboxylic, chelidamic or chelidonic moiety, at the P2 position were reported. These inhibitors were designed based on the conformer of docked inhibitor in BACE1. In this study, we discuss the role and significance of interactions between Arg235 of BACE1 and its inhibitor in BACE1 inhibitory mechanism. Moreover, we designed more potent small-sized BACE1 inhibitors with a 2,6-pyridinedicarboxylic scaffold at the P2 position, that were optimized for the interactions with Arg235 of BACE1.