788825-29-6

Basic information

• Product Name: Carbamic acid, [4-[(4-phenoxybenzoyl)amino]butyl]-, 1,1-dimethylethyl ester
• CAS NO: 788825-29-6
• Molecular Formula: C22H28N2O4
• Molecular Weight: 384.475
• Mol File: 788825-29-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Carbamic acid, [4-[(4-phenoxybenzoyl)amino]butyl]-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, [4-[(4-phenoxybenzoyl)amino]butyl]-, 1,1-dimethylethyl ester(788825-29-6)
• EPA Substance Registry System: Carbamic acid, [4-[(4-phenoxybenzoyl)amino]butyl]-, 1,1-dimethylethyl ester(788825-29-6)

Safety Data

• Hazardous Substances Data: 788825-29-6(Hazardous Substances Data)

Upstream product

• 1623-95-6 4-phenoxybenzoyl chloride 
• 33545-98-1 N-(4-aminobutyl)carbaminsaeure-(tert-butyl)ester-hydrochlorid 
• 2215-77-2 4-Phenoxybenzoic acid 

Relevant articles and documents

Exploring the structure-activity relationship of the ethylamine portion of 3-iodothyronamine for rat and mouse trace amine-associated receptor 1

3-Iodothyronamine (1, T1AM) is a naturally occurring derivative of thyroid hormone that can potently activate the orphan G protein-coupled receptor (GPCR) known as the trace amine-associated receptor 1 (TAAR 1). We have previously found that modifying the outer ring of the phenoxyphenethylamine core scaffold of 1 can improve potency and provide potent agonists. In this study, we explored the tolerance of rat and mouse TAAR 1 (rTAAR1 and mTAAR1) for structural modifications in the ethylamine portion of 1. We found that incorporating unsaturated hydrocarbon substituents and polar, hydrogen-bond-accepting groups were beneficial for rTAAR1 and mTAAR1, respectively, providing compounds that were equipotent or more potent than 1. Additionally, we have discovered that a naphthyl group is an excellent isosteric replacement for the iodophenyl ring of 1.