94413-64-6

Basic information

• Product Name: 2-CYANO-4-PYRIDINE CARBOXYLIC ACID METHYL ESTER
• Synonyms: 2-CYANO-4-PYRIDINE CARBOXYLIC ACID METHYL ESTER;Methyl 2-cyanoisonicotinate;Methyl 2-cyanopyridine-4-carboxylate;Methyl 2-cyanois;4-Pyridinecarboxylicacid, 2-cyano-, Methyl ester;Topiroxostat impurity L;Topiroxostat Impurity 15
• CAS NO: 94413-64-6
• Molecular Formula: C₈H₆N₂O₂
• Molecular Weight: 162.15
• Mol File: 94413-64-6.mol
• Article Data: 13

Chemical Properties

• Melting Point: 107-109℃
• Boiling Point: 296.6°Cat760mmHg
• Flash Point: 133.2°C
• Appearance: Pale brown/Solid
• Density: 1.25g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.536
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: -2.43±0.10(Predicted)
• Water Solubility: Slightly Soluble in water (6.2 g/L) (25°C).
• CAS DataBase Reference: 2-CYANO-4-PYRIDINE CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CYANO-4-PYRIDINE CARBOXYLIC ACID METHYL ESTER(94413-64-6)
• EPA Substance Registry System: 2-CYANO-4-PYRIDINE CARBOXYLIC ACID METHYL ESTER(94413-64-6)

Safety Data

• HazardClass: 6.1
• Hazardous Substances Data: 94413-64-6(Hazardous Substances Data)

Usage

Description

2-Cyano-4-pyridinecarboxylic acid methyl ester is an organic compound that serves as an important intermediate in the synthesis of various pharmaceutical and biologically active compounds.

Uses

Used in Pharmaceutical Industry:
2-Cyano-4-pyridinecarboxylic acid methyl ester is used as a key intermediate in the synthesis of tetrasubstituted imidazolines, which are potent and selective neuropeptide Y (NPY) Y5 receptor antagonists. These antagonists have potential applications in the treatment of various disorders, such as obesity and anxiety.
Used in Biological Research:
2-Cyano-4-pyridinecarboxylic acid methyl ester is also used in the synthesis of other biologically active compounds, making it a valuable tool for researchers in the field of medicinal chemistry and drug discovery. Its versatility in the synthesis of diverse compounds allows for the exploration of new therapeutic agents and the advancement of medical treatments.

InChI:InChI=1/C8H6N2O2/c1-12-8(11)6-2-3-10-7(4-6)5-9/h2-4H,1H3

Upstream product

• 3783-38-8 methyl isonicotinate N-oxide 
• 7677-24-9 trimethylsilyl cyanide 
• 79-44-7 N,N-Dimethylcarbamoyl chloride 
• 773837-37-9 sodium cyanide 
• 2459-09-8 4-pyridinecarboxylic acid, methyl ester 
• 66572-56-3 2-bromoisonicotinic acid 
• 557-21-1 zinc(II) cyanide 
• 26156-48-9 methyl 2-bromoisonicotinate 
• 748101-41-9 zinc cyanide 

Downstream Products

• 94413-69-1 4-carbomethoxy-2-pyridinemethanamine 
• 135048-32-7 2-cyanoisonicotinic acid hydrazide 
• 1158972-05-4 methyl 2-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinecarboxylate 
• 1454285-26-7 methyl 2-(formamidomethyl)pyridine-4-carboxylate 
• 1377829-50-9 methyl imidazo[1,5-a]pyridine-7-carboxylate 
• 161233-97-2 2-cyanopyridine-4-carboxylic acid 
• 577778-58-6 4-[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]-2-pyridinecarbonitrile 

Relevant articles and documents

Preparation method of topiroxostat crystal form I

The invention relates to a preparation method of a topiroxostat crystal form I and belongs to the technical field of medicine. The invention provides the topiroxostat crystal form I suitable for preparing preparation and provides a preparation method of the topiroxostat crystal form I with environmental friendliness and suitability for industrial operation. According to the technical scheme of thepreparation method disclosed by the invention, 4-methyl formate pyridine is utilized as a starting material, and the topiroxostat crystal form I is prepared by the steps of introducing acylamino, dehydrating, performing nucleophilic substitution, performing nucleophilic addition, condensation salifying and the like. According to the technical scheme of the preparation method disclosed by the invention, a telescoping technology is utilized, so that solvent use and energy consumption are reduced; meanwhile, reasonable salifying can prevent genotoxic impurities from being generated.

A combination of flow and batch mode processes for the efficient preparation of mGlu2/3 receptor negative allosteric modulators (NAMs)

Benzodiazepinones are privileged scaffolds with activity against multiple therapeutically relevant biological targets. In support of our ongoing studies around allosteric modulators of metabotropic glutamate receptors (mGlus) we required the multigram synthesis of a β-ketoester key intermediate. We report the continuous flow synthesis of tert-butyl 3-(2-cyanopyridin-4-yl)-3-oxopropanoate and its transformation to potent mGlu2/3 negative allosteric modulators (NAMs) in batch mode.

POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE

The invention provides compositions and methods for the treatment or prevention of pain. The invention provides constructs whereby hydrolysis of the construct by a specified gastrointestinal enzyme directly, or indirectly, releases an opioid when taken orally as prescribed. The gastrointestinal enzyme mediated release of opioid from constructs of the invention is designed to be attenuated in vivo via a saturation or inhibition mechanism when overdoses are ingested. The invention further provides constructs that are highly resistant to oral overdose, chemical tampering, and abuse via non-oral routes of administration.