1205-50-1

Basic information

• Product Name: methyl 3-chloro-4-hydroxy-5-methoxybenzoate
• Synonyms: methyl 3-chloro-4-hydroxy-5-methoxybenzoate;3-Chloro-4-hydroxy-5-methoxybenzoic acid methyl ester
• CAS NO: 1205-50-1
• Molecular Formula: C₉H₉ClO₄
• Molecular Weight: 216.61836
• EINECS: 214-884-2
• Mol File: 1205-50-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 319.9°Cat760mmHg
• Flash Point: 147.3°C
• Appearance: /
• Density: 1.339g/cm³
• Vapor Pressure: 0.000176mmHg at 25°C
• Refractive Index: 1.549
• CAS DataBase Reference: methyl 3-chloro-4-hydroxy-5-methoxybenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 3-chloro-4-hydroxy-5-methoxybenzoate(1205-50-1)
• EPA Substance Registry System: methyl 3-chloro-4-hydroxy-5-methoxybenzoate(1205-50-1)

Safety Data

• Hazardous Substances Data: 1205-50-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H9ClO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,1-2H3

Upstream product

• 67-56-1 methanol 
• 62936-23-6 3-chloro-4-hydroxy-5-methoxybenzoic acid 

Downstream Products

• 712294-48-9 3-chloro-4-ethoxy-5-methoxybenzoic acid 
• 1160755-55-4 3-chloro-5-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid methyl ester 
• 1026957-82-3 3-Chloro-4-hexyloxy-5-methoxy-benzoic acid 4-chloro-butyl ester 
• 904688-12-6 3-Chloro-4-hexyloxy-5-methoxy-benzoic acid 
• 1026271-46-4 3-Chloro-4-hexyloxy-5-methoxy-benzoyl chloride 
• 1026155-80-5 3-Chloro-4-hexyloxy-5-methoxy-benzoic acid methyl ester 

Relevant articles and documents

Design and synthesis of a potent, highly selective, orally bioavailable, retinoic acid receptor alpha agonist

A ligand-based virtual screening exercise examining likely bioactive conformations of AM 580 (2) and AGN 193836 (3) was used to identify the novel, less lipophilic RARα agonist 4-(3,5-dichloro-4-ethoxybenzamido)benzoic acid 5, which has good selectivity over the RARβ and RARγ receptors. Analysis of the medicinal chemistry parameters of the 3,5-substituents of derivatives of template 5 enabled us to design a class of drug-like molecules with lower intrinsic clearance and higher oral bioavailability which led to the novel RARα agonist 4-(3-chloro-4-ethoxy-5-isopropoxybenzamido)-2-methylbenzoic acid 56 that has high RARα potency and excellent selectivity versus RARβ (2 orders of magnitude) and RARγ (4 orders of magnitude) at both the human and mouse RAR receptors with improved drug-like properties. This RARα specific agonist 56 has high oral bioavailability (>80%) in both mice and dogs with a good PK profile and was shown to be inactive in cytotoxicity and genotoxicity screens.

COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.