42530-03-0

Basic information

• Product Name: 4,6-diamino-2-bromonicotinonitrile
• Synonyms: 2,4-diamino-5-cyano-6-bromopyridine;4,6-Diamino-2-bromo-3-pyridinecarbonitrile;2-Bromo-3-cyano-4,6-diaminopyridine;4,6-diamino-2-bromopyridine-3-carbonitrile
• CAS NO: 42530-03-0
• Molecular Formula: C₆H₅BrN₄
• Molecular Weight: 213.04
• EINECS: 255-872-7
• Mol File: 42530-03-0.mol

Chemical Properties

• Boiling Point: 503.5 °C at 760 mmHg
• Flash Point: 258.3 °C
• Appearance: /
• Density: 1.88 g/cm³
• Vapor Pressure: 2.9E-10mmHg at 25°C
• Refractive Index: 1.709
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 2.11±0.48(Predicted)
• CAS DataBase Reference: 4,6-diamino-2-bromonicotinonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4,6-diamino-2-bromonicotinonitrile(42530-03-0)
• EPA Substance Registry System: 4,6-diamino-2-bromonicotinonitrile(42530-03-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 42530-03-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
4,6-Diamino-2-bromonicotinonitrile is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure and functional groups make it a valuable building block for the development of new therapeutic agents and other chemical compounds.
Used in Medicinal Chemistry and Drug Discovery:
In the field of medicinal chemistry, 4,6-Diamino-2-bromonicotinonitrile is utilized for its potential biological activities and pharmacological properties. Researchers are exploring its use in the development of novel therapeutic agents, leveraging its chemical properties to create new drugs with improved efficacy and safety profiles.
Used in the Synthesis of Heterocyclic Compounds:
4,6-Diamino-2-bromonicotinonitrile has shown promise as a building block in the synthesis of heterocyclic compounds. Its presence in these compounds can contribute to their unique properties and potential applications in various industries, including pharmaceuticals, materials science, and agrochemicals.
Overall, 4,6-Diamino-2-bromonicotinonitrile is a versatile chemical compound with a wide range of applications across different industries, particularly in the development of new drugs and chemical compounds with potential therapeutic and practical uses.

InChI:InChI=1/C6H5BrN4/c7-6-3(2-8)4(9)1-5(10)11-6/h1H,(H4,9,10,11)

Upstream product

• 109-77-3 malononitrile 
• 107-06-2 1,2-dichloro-ethane 
• 868-54-2 1,1,3-tricyano-2-amino-1-propene 

Downstream Products

• 42530-05-2 4,6-Diamino-2-methoxy-pyridin-3-carbonitril 
• 42530-04-1 4,6-Diamino-2-phenylamino-3-pyridincarbonitril 
• 75776-47-5 2,4-diamino-5-cyanopyridine 
• 894803-71-5 N-(4-amino-6-bromo-5-cyano-pyridin-2-yl)-2-(2,5-dimethoxy-phenyl)-acetamide 
• 904309-67-7 4,6-Diamino-2-ethyl-nicotinonitrile 
• 904308-99-2 4,6-diamino-2-phenyl-nicotinonitrile 
• 42530-06-3 4,6-diamino-2-phenoxy-nicotinonitrile 
• 1401064-70-7 methyl 4-(4-amino-6-(tert-butylamino)-5-cyanopyridin-2-ylamino)benzoate 
• 1401064-71-8 C₁₇H₁₉N₅O₂ 
• 1206170-62-8 4-(4-amino-6-(tert-butylamino)-5-cyanopyridin-2-ylamino)benzamide 
• 75776-48-6 2,4-Diamino-5-pyridincarbonsaeure 
• 461-88-1 pyridine-2,4-diamine 
• 894803-86-2 N-(4-amino-5-cyano-6-ethoxy-pyridin-2-yl)-2-(4-methanesulfonyl-2,5-dimethoxy-phenyl)-acetamide 
• 894804-12-7 N-(4-Amino-5-cyano-6-ethoxy-pyridin-2-yl)-2-(2,5-dimethoxy-4-nitro-phenyl)-acetamide 

Relevant articles and documents

Synthesis of N-substituted pyrido[4,3-d]pyrimidines for the large-scale production of self-assembled rosettes and nanotubes

N-substituted pyrido[4,3-d]pyrimidines are heterocycles which exhibit the asymmetric hydrogen bonding codes of both guanine and cytosine at 60 angles to each other, such that the molecules self-organize unambiguously into a cyclic hexamer, assembled via 18 intermolecular hydrogen bonds. The synthesis is straightforward and can be concluded in six steps from the commercially available malononitrile dimer. X-ray crystallographic analysis of the supermacrocyclic structure shows an undulating disk with a ca. 10.5 A cavity, the centers of which do not overlap sufficiently to describe a channel in the solid state. However, AFM, SEM, and TEM imaging in solution reveals the formation of 1D nanostructures in agreement with their self-assembly into rosette supermacrocycles, which then stack linearly to form rosette nanotubes.

Naphthyridinones for inhibiting protein tyrosine kinase and cell cycle kinase mediated cellular proliferation

PCT No. PCT/US98/16848 Sec. 371 Date Jan. 26, 2000 Sec. 102(e) Date Jan. 26, 2000 PCT Filed Aug. 13, 1998 PCT Pub. No. WO99/09030 PCT Pub. Date Feb. 25, 1999This invention relates to the inhibition of protein tyrosine kinase (PTK) and cell cycle kinase mediated cellular proliferation. More specifically, this invention relates to naphthyridinones and their use in inhibiting cellular proliferation and PTK or cell cycle kinase enzymatic activity.

A One-step Synthesis of 2,4-Bis(sec-alkylamino)-6-halo-3-pyridinecarbonitriles

The title compounds, e.g. 2a-c or 7, are obtained by reaction of malononitrile (1) with sec-alkylhalides/aluminium chloride (except the alkyl fluorides) at room temperature.From these the corresponding 2,4-bis(sec-alkylamino)pyridines may be conveniently prepared.With hydrogen bromide, 1 or its "dimer" 10 (R = H) 2,4-diamino-6-bromo-5-pyridinecarbonitrile (17) is formed.