381247-99-0

Basic information

• Product Name: METHYL 5-BROMO-6-HYDROXYNICOTINATE
• Synonyms: METHYL 5-BROMO-6-HYDROXYNICOTINATE;Methyl 5-broMo-6-hydroxypyridine-3-carboxylate;Methyl 3-bromo-2-hydroxypyridine-5-carboxylate;3-Pyridinecarboxylic acid, 5-broMo-1,6-dihydro-6-oxo-, Methyl ester;5-BroMo-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid Methyl ester;Methyl 5-bromo-6-hydroxypyridine-3-carboxylate, Methyl 5-bromo-1,6-dihydro-6-oxopyridine-3-carboxylate, 3-Bromo-2-hydroxy-5-(methoxycarbonyl)pyridine;Methyl5-bromo-6-hydroxynicotinate95%
• CAS NO: 381247-99-0
• Molecular Formula: C₇H₆BrNO₃
• Molecular Weight: 232.03
• Product Categories: Esters;Pyridines
• Mol File: 381247-99-0.mol
• Article Data: 9

Chemical Properties

• Melting Point: 225-227℃
• Boiling Point: 353.1°C at 760 mmHg
• Flash Point: 167.4°C
• Appearance: White to pale brown/Solid
• Density: 1.737g/cm³
• Vapor Pressure: 3.66E-05mmHg at 25°C
• Refractive Index: 1.58
• Storage Temp.: 2-8°C
• PKA: 8.50±0.10(Predicted)
• CAS DataBase Reference: METHYL 5-BROMO-6-HYDROXYNICOTINATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 5-BROMO-6-HYDROXYNICOTINATE(381247-99-0)
• EPA Substance Registry System: METHYL 5-BROMO-6-HYDROXYNICOTINATE(381247-99-0)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 381247-99-0(Hazardous Substances Data)

Usage

Form

White to pale brown solid

Uses

METHYL 5-BROMO-6-HYDROXYNICOTINATE is a useful research chemical.

InChI:InChI=1/C7H6BrNO3/c1-12-7(11)4-2-5(8)6(10)9-3-4/h2-3H,1H3,(H,9,10)

Upstream product

• 42933-07-3 methyl 3-bromo-2-oxo-2H-pyran-5-carboxylate 
• 66171-50-4 methyl 6-hydroxynicotinate 
• 67-56-1 methanol 
• 41668-13-7 5-bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid 
• 41668-13-7 5-bromo-6-hydroxy-3-pyridinecarboxylic acid 
• 5006-66-6 6-hydroxy-3-pyridinecarboxylic acid 

Downstream Products

• 78686-81-4 methyl 5,6-dibromonicotinate 
• 78686-77-8 5-bromo-6-chloro-3-pyridinecarboxylic acid methyl ester 
• 93349-99-6 methyl 5-bromo-6-methoxy-pyridine-3-carboxylate 
• 234107-97-2 methyl 6-methoxy-5-methylnicotinate 
• 41668-13-7 5-bromo-6-hydroxy-3-pyridinecarboxylic acid 

Relevant articles and documents

De novo Design of SARS-CoV-2 Main Protease Inhibitors

The COVID-19 pandemic prompted many scientists to investigate remedies against SARS-CoV-2 and related viruses that are likely to appear in the future. As the main protease of the virus, M Pro, is highly conserved among coronaviruses, it has emerged as a prime target for developing inhibitors. Using a combination of virtual screening and molecular modeling, we identified small molecules that were easily accessible and could be quickly diversified. Biochemical assays confirmed a class of pyridones as low micromolar noncovalent inhibitors of the viral main protease.

TAM family kinase and/or CSF1R kinase inhibitor and application thereof

The invention provides a novel inhibitor compound shown in a general formula (I). The compound has good kinase inhibition activity and can be used for preventing and/or treating diseases mediated by abnormal expression of TAM family kinase and/or a ligand thereof. The compound can target CSF1R kinase and can be used for preventing and/or treating diseases mediated by abnormal expression of a TAM family kinase receptor and/or a CSF1R kinase receptor and/or ligands thereof.

Structure-Based Design of 1,4-Dibenzoylpiperazines as β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction Inhibitors

A small-molecule inhibitor with a 1,4-dibenzoylpiperazine scaffold was designed to match the critical binding elements in the β-catenin/B-cell lymphoma 9 (BCL9) protein-protein interaction interface. Inhibitor optimization led to a potent inhibitor that can disrupt the β-catenin/BCL9 interaction and exhibit 98-fold selectivity over the β-catenin/cadherin interaction. The binding mode of new inhibitors was characterized by structure-activity relationships and site-directed mutagenesis studies. Cell-based studies demonstrated that this series of inhibitors can selectively suppress canonical Wnt signaling and inhibit growth of Wnt/β-catenin-dependent cancer cells.