1112851-50-9

Basic information

• Product Name: 5,6-Dimethoxypicolinonitrile
• Synonyms: 5,6-Dimethoxypicolinonitrile
• CAS NO: 1112851-50-9
• Molecular Formula: C8H8N2O2
• Molecular Weight: 164.16132
• Mol File: 1112851-50-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 275.4±40.0 °C(Predicted)
• Appearance: /
• Density: 1.19±0.1 g/cm3(Predicted)
• PKA: -4.13±0.10(Predicted)
• CAS DataBase Reference: 5,6-Dimethoxypicolinonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 5,6-Dimethoxypicolinonitrile(1112851-50-9)
• EPA Substance Registry System: 5,6-Dimethoxypicolinonitrile(1112851-50-9)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• RIDADR: UN 2811 6.1 / PGIII
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 1112851-50-9(Hazardous Substances Data)

Usage

Description

5,6-Dimethoxypicolinonitrile is a chemical compound characterized by the molecular formula C8H8N2O2. It is a nitrile derivative of picolinonitrile, featuring two methoxy groups at the 5 and 6 positions on the pyridine ring. 5,6-Dimethoxypicolinonitrile serves as a versatile intermediate in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals, and is also used in organic synthesis and chemical research for the creation of heterocyclic compounds. Its potential in medicinal chemistry is notable, as it can be further modified to develop new drug candidates or active pharmaceutical ingredients.

Uses

Used in Pharmaceutical Synthesis:
5,6-Dimethoxypicolinonitrile is used as an intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique structure allows for the development of new drug candidates with potential therapeutic applications.
Used in Agrochemical Production:
In the agrochemical industry, 5,6-Dimethoxypicolinonitrile is utilized as a building block for the creation of compounds with pesticidal or herbicidal properties, contributing to the development of more effective and environmentally friendly agricultural products.
Used in Organic Synthesis:
5,6-Dimethoxypicolinonitrile is employed as a key component in organic synthesis, where it can be used to construct a wide range of heterocyclic compounds. These compounds have diverse applications in various fields, including pharmaceuticals, materials science, and chemical research.
Used in Chemical Research:
As a building block in chemical research, 5,6-Dimethoxypicolinonitrile is used to explore new reaction pathways and develop innovative synthetic methods. Its unique properties make it a valuable tool for understanding the reactivity and selectivity of various chemical processes.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 5,6-Dimethoxypicolinonitrile is used as a starting material for the development of new drug candidates and active pharmaceutical ingredients. Its potential for modification and functionalization allows for the design of novel therapeutic agents with improved efficacy and selectivity.

InChI:InChI=1S/C8H8N2O2/c1-11-7-4-3-6(5-9)10-8(7)12-2/h3-4H,1-2H3

Upstream product

• 321535-23-3 2,3-dimethoxy-6-iodo-pyridine 

Downstream Products

• 1112850-40-4 (5,6-dimethoxypyridin-2-yl)methanamine 

Relevant articles and documents

Discovery of 5″-chloro-n-[(5,6-dimethoxypyridin-2- yl)methyl]-2,2':5',3″-Terpyridine-3'-carboxamide (mk-1064): A selective orexin 2 receptor antagonist (2-sora) for the treatment of insomnia

The field of small-molecule orexin antagonist research has evolved rapidly in the last 15 years from the discovery of the orexin peptides to clinical proof-of-concept for the treatment of insomnia. Clinical programs have focused on the development of antagonists that reversibly block the action of endogenous peptides at both the orexin 1 and orexin 2 receptors (OX1R and OX2R), termed dual orexin receptor antagonists (DORAs), affording late-stage development candidates including Merck's suvorexant (new drug application filed 2012). Full characterization of the pharmacology associated with antagonism of either OX1R or OX2R alone has been hampered by the dearth of suitable subtype-selective, orally bioavailable ligands. Herein, we report the development of a selective orexin 2 antagonist (2-SORA) series to afford a potent, orally bioavailable 2-SORA ligand. Several challenging medicinal chemistry issues were identified and overcome during the development of these 2,5-disubstituted nicotinamides, including reversible CYP inhibition, physiochemical properties, P-glycoprotein efflux and bioactivation. This article highlights structural modifications the team utilized to drive compound design, as well as in vivo characterization of our 2-SORA clinical candidate, 5''-chloro-N- [(5,6-dimethoxypyridin-2-yl)methyl] -2,2':5',3''-terpyridine-3'-carboxamide (MK-1064), in mouse, rat, dog, and rhesus sleep models.

ISONICOTINAMIDE OREXIN RECEPTOR ANTAGONISTS

The present invention is directed to isonicotinamide compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. Th

PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS

The present invention is directed to pyrazine carboxamide compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involve