317357-45-2

Basic information

• Product Name: Benzoic acid, 4-[[(2S,4S)-4-(2-naphthalenyloxy)-2-pyrrolidinyl]methoxy]-, methyl ester
• CAS NO: 317357-45-2
• Molecular Formula: C23H23NO4
• Molecular Weight: 377.44
• Mol File: 317357-45-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-[[(2S,4S)-4-(2-naphthalenyloxy)-2-pyrrolidinyl]methoxy]-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-[[(2S,4S)-4-(2-naphthalenyloxy)-2-pyrrolidinyl]methoxy]-, methyl ester(317357-45-2)
• EPA Substance Registry System: Benzoic acid, 4-[[(2S,4S)-4-(2-naphthalenyloxy)-2-pyrrolidinyl]methoxy]-, methyl ester(317357-45-2)

Safety Data

• Hazardous Substances Data: 317357-45-2(Hazardous Substances Data)

Upstream product

• 317357-43-0 (2S,4S)-1-tert-butoxycarbonyl-4-(2-naphthyloxy)-2-pyrrolidinylmethanol 
• 317357-44-1 methyl 4-[1-tert-butoxycarbonyl-(4S)-(2-naphthyloxy)-(2S)-pyrrolidinylmethoxy]benzoate 
• 317357-42-9 1-(tert-butoxycarbonyl)-(4S)-(2-naphthyloxy)-(2S)-pyrrolidinylcarboxylic acid 

Downstream Products

• 317357-46-3 methyl 4-[(2S,4S)-1-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetyl]-4-(2-naphthyloxy)-2-pyrrolidinyl]methoxybenzoate 

Relevant articles and documents

4-(Pyrrolidinyl)methoxybenzoic acid derivatives as a potent, orally active VLA-4 antagonist

A novel series of benzoic acid derivatives as VLA-4 antagonists were synthesized. Optimization, focusing on activity and lipophilicity needed for cell permeability, resulted in the identification of 15b and 15e with good activity (IC50=1.6 nM each) and moderate lipophilicity (Log D=2.0, 1.8). Furthermore, 15e demonstrated efficacy in murine asthma model by an oral dose of 30 mg/kg.