72531-22-7

Basic information

• Product Name: 1-(4-acetylphenyl)-3-butylurea
• Synonyms: 1-(4-acetylphenyl)-3-butylurea
• CAS NO: 72531-22-7
• Molecular Weight: 234.298
• Mol File: 72531-22-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-(4-acetylphenyl)-3-butylurea(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-acetylphenyl)-3-butylurea(72531-22-7)
• EPA Substance Registry System: 1-(4-acetylphenyl)-3-butylurea(72531-22-7)

Safety Data

• Hazardous Substances Data: 72531-22-7(Hazardous Substances Data)

Upstream product

• 67014-02-2 4-acetylbenzamide 
• 111-36-4 n-butyl isocyanide 
• 99-92-3 p-aminobenzophenone 

Downstream Products

• 1162126-26-2 1-butyl-3-(4-(3-(dimethylamino)propanoyl)phenyl)urea 

Relevant articles and documents

Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors

We have previously reported the discovery and preliminary structure activity relationships of a series of β-aminoketones that disrupt the binding of coactivators to TR. However, the most active compounds had moderate inhibitory potency and relatively high cytotoxicity, resulting in narrow therapeutic index. Additionally, preliminary evaluation of in vivo toxicology revealed a significant dose related cardiotoxicity. Here we describe the improvement of pharmacological properties of thyroid hormone receptor coactivator binding inhibitors. A comprehensive survey of the effects of substitutents in key areas of the molecule was carried out based on mechanistic insight from the earlier report. This study revealed that both electron withdrawing and hydrophobic substituents on the aromatic ring led to higher potency. On the other hand, moving from an alkyl to a sulfonyl alkyl side chain led to reduced cytotoxicity. Finally, utilization of amine moieties having low pKa's resulted in lowered ion channel activity without any loss of pharmacological activity.