54846-16-1

Basic information

• Product Name: (E)-1-(1-benzyl-1,2-dihydropyridin-2-yl)-N-hydroxymethanimine
• CAS NO: 54846-16-1
• Molecular Formula: Br*C₁₃H₁₃N₂O
• Molecular Weight: 214.2631
• Mol File: 54846-16-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 410.111°C at 760 mmHg
• Flash Point: 201.828°C
• Density: 1.084g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.574
• CAS DataBase Reference: (E)-1-(1-benzyl-1,2-dihydropyridin-2-yl)-N-hydroxymethanimine(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-1-(1-benzyl-1,2-dihydropyridin-2-yl)-N-hydroxymethanimine(54846-16-1)
• EPA Substance Registry System: (E)-1-(1-benzyl-1,2-dihydropyridin-2-yl)-N-hydroxymethanimine(54846-16-1)

Safety Data

• Hazardous Substances Data: 54846-16-1(Hazardous Substances Data)

Usage

Description

(E)-1-(1-benzyl-1,2-dihydropyridin-2-yl)-N-hydroxymethanimine is a chemical compound characterized by its dihydropyridine derivative structure, featuring a benzyl group and a hydroxymethanimine group. With the molecular formula C16H18N2O, this compound holds promise for pharmaceutical research and drug development due to its unique structural attributes and potential biological activities. Further investigation is necessary to comprehensively understand its properties and explore its potential applications across various disciplines such as medicine, chemistry, and biology.

Uses

Used in Pharmaceutical Research:
(E)-1-(1-benzyl-1,2-dihydropyridin-2-yl)-N-hydroxymethanimine is used as a research compound for exploring its potential in the development of new pharmaceuticals. Its unique structure may contribute to the creation of novel drugs with specific therapeutic applications.
Used in Drug Development:
In the field of drug development, (E)-1-(1-benzyl-1,2-dihydropyridin-2-yl)-N-hydroxymethanimine is utilized as a key building block or chemical intermediate. Its incorporation into drug molecules could enhance their efficacy, selectivity, or stability, leading to improved treatment options for various medical conditions.
Used in Chemical Synthesis:
(E)-1-(1-benzyl-1,2-dihydropyridin-2-yl)-N-hydroxymethanimine serves as an important intermediate in the synthesis of more complex organic compounds. Its reactivity and structural features make it a valuable component in the creation of advanced chemical products with diverse applications.
Used in Biological Studies:
(E)-1-(1-benzyl-1,2-dihydropyridin-2-yl)-N-hydroxymethanimine is also used in biological studies to investigate its interactions with biological systems. Understanding these interactions can provide insights into potential therapeutic uses and help in the design of new bioactive molecules.

Upstream product

• 1193-96-0 (E)-pyridin-2-aldoxime 
• 100-39-0 benzyl bromide 
• 873-69-8 2-pyridinealdoxime 

Relevant articles and documents

Monoquaternary pyridinium salts with modified side chain-synthesis and evaluation on model of tabun- and paraoxon-inhibited acetylcholinesterase

Acetylcholinesterase reactivators are crucial antidotes for the treatment of organophosphate intoxication. Eighteen monoquaternary reactivators of acetylcholinesterase with modified side chain were developed in an effort to extend the properties of pralidoxime. The known reactivators (pralidoxime, HI-6, obidoxime, trimedoxime, methoxime) and the prepared compounds were tested in vitro on a model of tabun- and paraoxon-inhibited AChE. Monoquaternary reactivators were not able to exceed the best known compounds for tabun poisoning, but some of them did show reactivation better or comparable with pralidoxime for paraoxon poisoning. However, extensive differences were found by a SAR study for various side chains on the non-oxime part of the reactivator molecule.

New safe method for preparation of sarin-exposed human erythrocytes acetylcholinesterase using non-toxic and stable sarin analogue isopropyl p-nitrophenyl methylphosphonate and its application to evaluation of nerve agent antidotes

Introduction. A non-toxic and stable sarin analogue, isopropyl p-nitrophenyl methylphosphonate (INMP), was synthesized for safe preparation of sarin-exposed acetylcholinesterase (AChE). Results and Discussion. This agent was stable for years, able to be handled in an ordinary laboratory without special care, and its 50% inhibitory concentration (IC50) on 0.04 U/ml human erythrocytes AChE was 15 nM. This reagent was thought to be especially useful since it enables experiments that require sarin-inhibited AChE, such as the development of antidotes for sarin, in a usual laboratory. To demonstrate the usefulness of this method, 40 known and novel pyridinealdoxime methiodide (PAM)-type oxime antidotes were synthesized, and their reactivation activities to INMP-exposed AChE and structure-activities correlation were studied. Conclusion. Among the antidotes tested in this experiment except for 2-PAM, the compound found to have the highest reactivation activity, was the novel hydrophobic 2-PAM-type compound, 2-[(hydroxyimino)methyl]-1-[4-(tert- butyl)benzyl] pyridinium bromide.

The reaction of quaternary pyridine derivatives with imidazoles.

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