1187028-79-0

Basic information

• Product Name: (S)-N-(3-(4-(5-(3-((butyl(methyl)amino)methyl)-5-methylphenyl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)-2-hydroxypropyl)-2-hydroxyacetamide
• Synonyms: (S)-N-(3-(4-(5-(3-((butyl(methyl)amino)methyl)-5-methylphenyl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)-2-hydroxypropyl)-2-hydroxyacetamide
• CAS NO: 1187028-79-0
• Molecular Weight: 524.66
• Mol File: 1187028-79-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (S)-N-(3-(4-(5-(3-((butyl(methyl)amino)methyl)-5-methylphenyl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)-2-hydroxypropyl)-2-hydroxyacetamide(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-N-(3-(4-(5-(3-((butyl(methyl)amino)methyl)-5-methylphenyl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)-2-hydroxypropyl)-2-hydroxyacetamide(1187028-79-0)
• EPA Substance Registry System: (S)-N-(3-(4-(5-(3-((butyl(methyl)amino)methyl)-5-methylphenyl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)-2-hydroxypropyl)-2-hydroxyacetamide(1187028-79-0)

Safety Data

• Hazardous Substances Data: 1187028-79-0(Hazardous Substances Data)

Upstream product

• 63440-59-5 3-hydroxymethyl-5-methylbenzoic acid 
• 550367-75-4 3-bromomethyl-5-methylbenzoic acid 
• 499-06-9 3,5-dimethylbenzoic acid 
• 4481-27-0 3-formyl-5-methylbenzoic acid 
• 1150644-70-4 N-((S)-3-[2-ethyl-4-(N-hydroxycarbamimidoyl)-6-methyl-phenoxy]-2-hydroxy-propyl)-2-hydroxy-acetamide 
• 110-68-9 N-n-butyl-N-methylamine 
• 1187028-55-2 (S)-N-(3-(2-ethyl-4-(5-(3-formyl-5-methylphenyl)-1,2,4-oxadiazol-3-yl)-6-methylphenoxy)-2-hydroxypropyl)-2-hydroxyacetamide 

Relevant articles and documents

Novel S1P1 receptor agonists - Part 4: Alkylaminomethyl substituted aryl head groups

In a previous communication we reported on the discovery of alkylamino pyridine derivatives (e.g. 1) as a new class of potent, selective and efficacious S1P1 receptor (S1PR1) agonists. However, more detailed profiling revealed that this compound class is phototoxic in vitro. Here we describe a new class of potent S1PR1 agonists wherein the exocyclic nitrogen was moved away from the pyridine ring (e.g. 11c). Further structural modifications led to the identification of novel alkylaminomethyl substituted phenyl and thienyl derivatives as potent S1PR1 agonists. These new alkylaminomethyl aryl compounds showed no phototoxic potential. Based on their in vivo efficacy and ability to penetrate the brain, the 5-alkyl-aminomethyl thiophenes appeared to be the most interesting class. Potent and selective S1PR1 agonist 20e, for instance, maximally reduced the blood lymphocyte count (LC) for 24 h after oral administration of 10 mg/kg to rat and its brain concentrations reached >500 ng/g over 24 h.