527681-11-4

Basic information

• Product Name: 2-Pyridinecarboxylicacid,4,5-dihydroxy-,methylester(9CI)
• Synonyms: 2-Pyridinecarboxylicacid,4,5-dihydroxy-,methylester(9CI);2-Pyridinecarboxylic acid, 4,5-dihydroxy-, Methyl ester;Methyl 4,5-dihydroxypyridine-2-carboxylate
• CAS NO: 527681-11-4
• Molecular Formula: C7H7NO4
• Molecular Weight: 169.14
• Product Categories: GLYCINESCAFFOLD
• Mol File: 527681-11-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 512.6±45.0 °C(Predicted)
• Appearance: /
• Density: 1.440±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 7.23±0.23(Predicted)
• CAS DataBase Reference: 2-Pyridinecarboxylicacid,4,5-dihydroxy-,methylester(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Pyridinecarboxylicacid,4,5-dihydroxy-,methylester(9CI)(527681-11-4)
• EPA Substance Registry System: 2-Pyridinecarboxylicacid,4,5-dihydroxy-,methylester(9CI)(527681-11-4)

Safety Data

• Hazardous Substances Data: 527681-11-4(Hazardous Substances Data)

Usage

General Description

2-Pyridinecarboxylicacid,4,5-dihydroxy-,methylester(9CI) is a chemical compound with the molecular formula C7H7NO4. It is also known as 4,5-dihydroxynicotinic acid methyl ester. 2-Pyridinecarboxylicacid,4,5-dihydroxy-,methylester(9CI) is an ester derivative of 4,5-dihydroxynicotinic acid and is commonly used as a reactant in organic synthesis. It is a white to off-white crystalline powder that is soluble in organic solvents. This chemical compound has potential applications in the pharmaceutical and agricultural industries, and it may also have biological and pharmacological effects that are of interest for further research and development.

Upstream product

• 67-56-1 methanol 
• 43077-77-6 4,5-dihydroxypyridine-2-carboxylic acid 

Downstream Products

• 527681-13-6 2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxylic acid 
• 527681-12-5 methyl 2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxylate 

Relevant articles and documents

Design, synthesis, structure-activity relationship, and in vivo activity of azabicyclic aryl amides as α7 nicotinic acetylcholine receptor agonists

A novel set of azabicyclic aryl amides have been identified as potent and selective agonists of the α7 nAChR. A two-pronged approach was taken to improve the potential hERG liability of previously disclosed α7 nAChR agonist, PNU-282,987, while maintaining the compound's other desirable pharmacological properties. The first approach involved further exploration of the aryl carboxylic acid fragment of PNU-282,987, while the second approach focused on modification of the azabicyclic amine portion of PNU-282,987. The best compounds from each series are characterized by rapid brain penetration, good oral bioavailability in rat, and demonstrate in vivo efficacy in a rat P50 auditory sensory gating assay. At least one analog from each series (1h, 1o, 2a, 9a, and 18a) shows an improved hERG safety profile over PNU-282,987.