197241-86-4

Basic information

• Product Name: CH₃CH₂CH₂OOCCHCHCOOCH₂CH₂CH₃
• Synonyms: CH₃CH₂CH₂OOCCHCHCOOCH₂CH₂CH₃
• CAS NO: 197241-86-4
• Molecular Weight: 200.235
• Mol File: 197241-86-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: CH₃CH₂CH₂OOCCHCHCOOCH₂CH₂CH₃(CAS DataBase Reference)
• NIST Chemistry Reference: CH₃CH₂CH₂OOCCHCHCOOCH₂CH₂CH₃(197241-86-4)
• EPA Substance Registry System: CH₃CH₂CH₂OOCCHCHCOOCH₂CH₂CH₃(197241-86-4)

Safety Data

• Hazardous Substances Data: 197241-86-4(Hazardous Substances Data)

Upstream product

• 71-23-8 propan-1-ol 
• 110-17-8 (2E)-but-2-enedioic acid 

Relevant articles and documents

Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A)

Nicotinic acid (niacin) has been used for decades as an antidyslipidemic drug in man. Its main target is the hydroxy-carboxylic acid receptor HCA2 (GPR109A), a G protein-coupled receptor. Other acids and esters such as methyl fumarate also interact with the receptor, which constituted the basis for the current study. We synthesized a novel series of substituted propenoic acids, such as fumaric acid esters, fumaric acid amides and cinnamic acid derivatives, and determined their affinities for the HCA2 receptor. We observed a rather restricted binding pocket on the receptor with trans-cinnamic acid being the largest planar ligand in our series with appreciable affinity for the receptor. Molecular modeling and analysis of the structure-activity relationships in the series suggest a planar trans-propenoic acid pharmacophore with a maximum length of 8 ? and out-of-plane orientation of the larger substituents.