1616681-32-3

Basic information

• Product Name: methyl 4-(2-bromo-N-butylcyclooct-1-ene-1-carboxamido)benzoate
• Synonyms: methyl 4-(2-bromo-N-butylcyclooct-1-ene-1-carboxamido)benzoate
• CAS NO: 1616681-32-3
• Molecular Weight: 422.362
• Mol File: 1616681-32-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: methyl 4-(2-bromo-N-butylcyclooct-1-ene-1-carboxamido)benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 4-(2-bromo-N-butylcyclooct-1-ene-1-carboxamido)benzoate(1616681-32-3)
• EPA Substance Registry System: methyl 4-(2-bromo-N-butylcyclooct-1-ene-1-carboxamido)benzoate(1616681-32-3)

Safety Data

• Hazardous Substances Data: 1616681-32-3(Hazardous Substances Data)

Upstream product

• 619-45-4 4-methoxycarbonyl aniline 
• 64825-11-2 2-bromo-1-cyclooctene-1-carbaldehyde 
• 502-49-8 cycloactanone 
• 1259296-21-3 2-bromo-1-cyclooctene-1-carboxylic acid 
• 71839-12-8 N-(n-butyl)-4-methoxycarbonylaniline 
• 304646-56-8 methyl 4-(2,2,2-trifluoroacetamido)benzoate 

Relevant articles and documents

Structure-activity relationship study of non-steroidal NPC1L1 ligands identified through cell-based assay using pharmacological chaperone effect as a readout

Niemann-Pick type C1-like 1 (NPC1L1) is an intestinal cholesterol transporter that is known to be the target of the cholesterol absorption inhibitor ezetimibe. We previously discovered steroidal NPC1L1 ligands by using a novel cell-based assay that employs pharmacological chaperone effect as a readout. Those steroid derivatives bound to a site different from both the sterol-binding domain and the ezetimibe-binding site, implying that they may be a novel class of NPC1L1 inhibitors with a distinct mode of action. As an extension of that work, we aimed here to find non-steroidal NPC1L1 ligands, which may be better candidates for clinical application than steroidal ligands, by using the same assay to screen our focused library of ligands for liver X receptor (LXR), a nuclear receptor that recognizes oxysterols as endogenous ligands. Here we describe identification of a novel class of NPC1L1 ligands with a ring-fused quinolinone scaffold, and an analysis of the structure-activity relationships of their derivatives as NPC1L1 ligands.