1613414-00-8

Basic information

• Product Name: 4-((3-((S)-phenyl(((((R)-quinuclidin-3-yl)oxy)carbonyl)amino)methyl)phenoxy)methyl)benzoic acid
• Synonyms: 4-((3-((S)-phenyl(((((R)-quinuclidin-3-yl)oxy)carbonyl)amino)methyl)phenoxy)methyl)benzoic acid
• CAS NO: 1613414-00-8
• Molecular Weight: 486.568
• Mol File: 1613414-00-8.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: 4-((3-((S)-phenyl(((((R)-quinuclidin-3-yl)oxy)carbonyl)amino)methyl)phenoxy)methyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-((3-((S)-phenyl(((((R)-quinuclidin-3-yl)oxy)carbonyl)amino)methyl)phenoxy)methyl)benzoic acid(1613414-00-8)
• EPA Substance Registry System: 4-((3-((S)-phenyl(((((R)-quinuclidin-3-yl)oxy)carbonyl)amino)methyl)phenoxy)methyl)benzoic acid(1613414-00-8)

Safety Data

• Hazardous Substances Data: 1613414-00-8(Hazardous Substances Data)

Upstream product

• 71-43-2 benzene 
• 586-38-9 3-Methoxybenzoic acid 
• 1613413-98-1 (S)-methyl 4-((3-(amino(phenyl)methyl)phenoxy)methyl)benzoate hydrochloride 
• 1613413-97-0 (S)-methyl 4-((3-((((tert-butoxy)carbonyl)amino)(phenyl)methyl)phenoxy)methyl)benzoate 
• 1416069-62-9 (S)-tert-butyl ((3-hydroxyphenyl)(phenyl)methyl)carbamate 
• 1416070-91-1 (S)-tert-butyl ((3-hydroxyphenyl)(phenyl)methyl)carbamate 
• 2417-72-3 Methyl 4-(bromomethyl)benzoate 
• 1613413-99-2 Methyl 4-((3-((S)-phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)methyl)-phenoxy) methyl)benzoate 
• 1416069-97-0 (S)-Methyl 4-((3-(amino(phenyl)methyl)phenoxy)methyl)benzoate hydrochloride 
• 1416069-96-9 (S)-Methyl 4-((3-(((tert-butoxycarbonyl)amino)(phenyl)methyl)phenoxy)-methyl)benzoate 
• 1416070-05-7 3-(Amino(phenyl)methyl)phenol hydrochloride 
• 1416069-95-8 N-((3-hydroxyphenyl)(phenyl)methyl)formamide 
• 13020-57-0 3-hydroxybenzophenone 
• 6136-67-0 3-methoxybenzophenone 

Downstream Products

• 1613414-01-9 2-(4-formyl-2-methylphenoxy)ethyl 4-((3-((S)-phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)methyl)phenoxy)methyl)benzoate 
• 1613604-26-4 4-(2-(((R)-2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)-amino)ethyl)benzyl 3-((3-((S)-phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)-methyl)phenoxy)methyl)benzoate 
• 1613607-24-1 3-((((R)-2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)methyl)benzyl 4-((3-((S)-phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)methyl)phenoxy)methyl)benzoate 
• 1613414-69-9 3-(1,3-Dioxolan-2-yl)propyl 1-methyl-5((3((S)-phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)methyl)phenoxy)methyl)-1H-pyrazole-3-carboxylate 
• 1651190-32-7 4-oxobutyl 1-(4-((3-((S)-phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)-methyl)phenoxy)methyl)benzoyl)piperidine-4-carboxylate 
• 1613462-76-2 4-(((R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)butyl 1-(4-((3-((S)-phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)methyl)phenoxy)methyl)benzoyl)piperidine-4-carboxylate 
• 1613464-86-0 (R)-quinuclidin-3-yl ((S)-(3-((4-((2-(1,3-dioxolan-2-yl)ethyl)(benzyl)carbamoyl)benzyl)oxy)phenyl)(phenyl)methyl)carbamate 
• 1613464-63-3 3-(1,3-dioxolan-2-yl)propyl 1-(4-((3-((S)-phenyl((((R)-quinuclidin-3-yloxy)-carbonyl)amino)methyl)phenoxy)methyl)benzoyl)piperidine-4-carboxylate 
• 1613414-02-0 2-(4-((((R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)methyl)-2-methylphenoxy)ethyl 4-((3-((S)-phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)methyl)phenoxy)methyl)benzoate formate 

Relevant articles and documents

Discovery of a novel class of inhaled dual pharmacology muscarinic antagonist and β2 agonist (MABA) for the treatment of chronic obstructive pulmonary disease (COPD)

The targeting of both the muscarinic and β-adrenergic pathways is a well validated therapeutic approach for the treatment of chronic obstructive pulmonary disease (COPD). In this communication we report our effort to incorporate two pharmacologies into a single chemical entity, whose characteristic must be suitable for a once daily inhaled administration. Contextually, we aimed at a locally acting therapy with limited systemic absorption to minimize side effects. Our lung-tailored design of bifunctional compounds that combine the muscarinic and β-adrenergic pharmacologies by the elaboration of the muscarinic inhibitor 7, successfully led to the potent, pharmacologically balanced muscarinic antagonist and β2 agonist (MABA) 13.

BENZHYDRYL DERIVATIVES

Compounds having a benzhydryl structure represented by formula (I) described herein are both phosphodiesterase 4 (PDE4) enzyme inhibitors and muscarinic M3 receptor antagonists and are useful for treating diseases of the respiratory tract.

COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY

The present invention relates to compounds acting both as muscarinic receptor antagonists and beta2 adrenergic receptor agonists, to processes for their preparation, to compositions comprising them, to therapeutic uses and combinations with other pharmaceutical active ingredients.