112682-05-0

Basic information

• Product Name: Benzoic acid, 4-(mercaptomethyl)-3-methoxy-, methyl ester
• CAS NO: 112682-05-0
• Molecular Formula: C10H12O3S
• Molecular Weight: 212.269
• Mol File: 112682-05-0.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-(mercaptomethyl)-3-methoxy-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-(mercaptomethyl)-3-methoxy-, methyl ester(112682-05-0)
• EPA Substance Registry System: Benzoic acid, 4-(mercaptomethyl)-3-methoxy-, methyl ester(112682-05-0)

Safety Data

• Hazardous Substances Data: 112682-05-0(Hazardous Substances Data)

Upstream product

• 186581-53-3 diazomethane 
• 70264-94-7 methyl 4-(bromomethyl)-3-methoxybenzoate 
• 3556-83-0 methyl 4-methyl-3-methoxybenzoate 

Downstream Products

• 112682-06-1 (5S,6R,7Z)-6-<<(4-carbomethoxy-2-methoxyphenyl)methyl>thio>-5-hydroxy-9-(4-heptylphenyl)-7-nonenoic acid methyl ester 

Relevant articles and documents

LEUKOTRIENE ANTAGONISTS

This invention relates to alkanoic acid compounds having phenyl and heteroarylthio substituents which are useful as leukotriene antagonists, processes for the preparation thereof, and pharmaceutical compositions containing such compounds.This invention also relates to methods of treating diseases in which leukotrienes are a factor by administration of an effective amount of the above compounds or compositions.

Synthesis and pharmacological characterization of a series of leukotriene analogues with antagonist and agonist activities

The synthesis and biological characterization of a series of novel leukotriene antagonists and agonists are reported. All of these compounds are derivatives of (5S,6R,7Z)-5-hydroxy-6-mercapto-9-phenyl-7-nonenoic acid. One of the more potent compounds is (5S,6R,7Z)-6-[[(4-carboxy-2-methoxyphenyl)methyl]thio]-5-hydroxy -9-(4-heptylphenyl)-7-nonenoic acid (3f). In vitro evaluation of this compound on guinea pig trachea revealed that it is a competitive antagonist of LTD4 and LTE4 with pK(B) values of 6.4 and 5.8, respectively. On guinea pig ileum, the pK(B) values obtained for it with LTD4 and E4 were both 7.2. The selectivity of 3f was shown by its lack of effect on carbachol, histamine, and barium chloride concentration-response curves in guinea pig trachea.