92060-41-8

Basic information

• Product Name: α-benzylidenepyridine-3-acetonitrile
• Synonyms: α-benzylidenepyridine-3-acetonitrile
• CAS NO: 92060-41-8
• Molecular Weight: 206.247
• Mol File: 92060-41-8.mol
• Article Data: 9

Chemical Properties

• CAS DataBase Reference: α-benzylidenepyridine-3-acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: α-benzylidenepyridine-3-acetonitrile(92060-41-8)
• EPA Substance Registry System: α-benzylidenepyridine-3-acetonitrile(92060-41-8)

Safety Data

• Hazardous Substances Data: 92060-41-8(Hazardous Substances Data)

Upstream product

• 6443-85-2 3-pyridinylacetonitrile 
• 100-51-6 benzyl alcohol 
• 100-52-7 benzaldehyde 
• 626-55-1 3-Bromopyridine 
• 1120-90-7 3-iodopyridine 
• 7605-28-9 2-(phenylsulfonyl)acetonitrile 

Relevant articles and documents

Design of reversible, cysteine-targeted michael acceptors guided by kinetic and computational analysis

Electrophilic probes that covalently modify a cysteine thiol often show enhanced pharmacological potency and selectivity. Although reversible Michael acceptors have been reported, the structural requirements for reversibility are poorly understood. Here, we report a novel class of acrylonitrile-based Michael acceptors, activated by aryl or heteroaryl electron-withdrawing groups. We demonstrate that thiol adducts of these acrylonitriles undergo β-elimination at rates that span more than 3 orders of magnitude. These rates correlate inversely with the computed proton affinity of the corresponding carbanions, enabling the intrinsic reversibility of the thiol-Michael reaction to be tuned in a predictable manner. We apply these principles to the design of new reversible covalent kinase inhibitors with improved properties. A cocrystal structure of one such inhibitor reveals specific noncovalent interactions between the 1,2,4-triazole activating group and the kinase. Our experimental and computational study enables the design of new Michael acceptors, expanding the palette of reversible, cysteine-targeted electrophiles.

Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles

A detailed experimental and theoretical investigation on the intermolecular interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles is reported. The intermolecular interactions are analyzed and quantified by PIXEL, DFT and quantum theory o

STILBENE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER

The present application relates to a compound of formula (I) wherein each of R1, R2, R3, R4 or R5 are independently selected from hydrogen, aliphatic, alkoxy, thioalkyl, alkylamino, halogen, hydroxy,