28172-18-1

Basic information

• Product Name: [(2E)-but-2-ene-1,4-diyldipyridin-1-yl-4-ylidene]bis(N-oxomethanaminium) dibromide
• Synonyms: 1,1'-(2E)-but-2-ene-1,4-diylbis{4-[(E)-(hydroxyimino)methyl]pyridinium} dibromide; pyridinium, 1,1'-[(2E)-2-butene-1,4-diyl]bis[4-[(E)-(hydroxyimino)methyl]-, bromide (1:2)
• CAS NO: 28172-18-1
• Molecular Formula: C₁₆H₁₈Br₂N₄O₂
• Molecular Weight: 458.1477
• Mol File: 28172-18-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 435.5°C at 760 mmHg
• Flash Point: 217.2°C
• Vapor Pressure: 8.69E-08mmHg at 25°C
• CAS DataBase Reference: [(2E)-but-2-ene-1,4-diyldipyridin-1-yl-4-ylidene]bis(N-oxomethanaminium) dibromide(CAS DataBase Reference)
• NIST Chemistry Reference: [(2E)-but-2-ene-1,4-diyldipyridin-1-yl-4-ylidene]bis(N-oxomethanaminium) dibromide(28172-18-1)
• EPA Substance Registry System: [(2E)-but-2-ene-1,4-diyldipyridin-1-yl-4-ylidene]bis(N-oxomethanaminium) dibromide(28172-18-1)

Safety Data

• Hazardous Substances Data: 28172-18-1(Hazardous Substances Data)

Upstream product

• 696-54-8 pyridine-4-aldoxime 
• 18866-73-4 cis-1,4-dibromo-2-butene 
• 873-69-8 2-pyridinealdoxime 
• 821-06-7 (E)-1,4-dibromobutene 

Relevant articles and documents

Two step synthesis of a non-symmetric acetylcholinesterase reactivator

The newly developed and very promising acetylcholinesterase reactivator (E)-1-(2-hydroxyiminomethylpyridinium)-4-(4-hydroxyiminomethylpyridinium) -but-2-ene dibromide was prepared using two different pathways via a two-step synthesis involving the appropriate (E)-1-(4-bromobut-2-enyl)-2- or 4-hydroxyiminomethyl-pyridinium bromides. Afterwards, purities and yields of the desired product prepared by both routes were compared. Finally, its potency to reactivate several nerve agent-inhibited acetylcholinesterases was tested.

The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage

Carbamate inhibitors (e.g. pyridostigmine bromide) are used as a pre-treatment for the prevention of organophosphorus poisoning. They work by blocking the native function of acetylcholinesterases (AChE) and thus protect AChE against irreversible inhibitio

Novel series of bispyridinium compounds bearing a (Z)-but-2-ene linker-Synthesis and evaluation of their reactivation activity against tabun and paraoxon-inhibited acetylcholinesterase

Six novel AChE reactivators with a (Z)-but-2-ene linker were synthesized using the known synthetic pathways. Their ability to reactivate AChE, which had been previously inhibited by nerve agent tabun or pesticide paraoxon, was tested in vitro and compared