98116-49-5

Basic information

• Product Name: Benzonitrile, 3-[(1E)-3-oxo-1-propenyl]-
• Synonyms: 3-cyano-1-(2-formylethenyl)benzene;Benzonitrile,3-[(1E)-3-oxo-1-propenyl];(E)-3-cyanocinnamaldehyde;3-cyanocinnamaldehyde
• CAS NO: 98116-49-5
• Molecular Formula: C10H7NO
• Molecular Weight: 157.172
• Mol File: 98116-49-5.mol
• Article Data: 10

Chemical Properties

• CAS DataBase Reference: Benzonitrile, 3-[(1E)-3-oxo-1-propenyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 3-[(1E)-3-oxo-1-propenyl]-(98116-49-5)
• EPA Substance Registry System: Benzonitrile, 3-[(1E)-3-oxo-1-propenyl]-(98116-49-5)

Safety Data

• Hazardous Substances Data: 98116-49-5(Hazardous Substances Data)

Upstream product

• 3054-95-3 acrylaldehyde diethyl acetal 
• 6952-59-6 3-cyanobromobenzene 
• 24964-64-5 3-Cyanobenzaldehyde 
• 2136-75-6 (triphenylphosphoranylidene)acetaldehyde 
• 98116-50-8 3-(3-cyanophenyl)-2-(E)-propen-1-ol 

Downstream Products

• 98116-50-8 3-(3-cyanophenyl)-2-(E)-propen-1-ol 
• 405887-94-7 C₃₀H₃₅N₃O₈ 
• 405887-74-3 C₂₈H₃₃N₃O₆ 
• 405887-78-7 C₂₈H₃₃N₃O₆ 
• 405887-84-5 C₂₈H₃₀F₃N₃O₆ 
• 406220-41-5 C₂₈H₃₀F₃N₃O₆ 
• 405887-44-7 C₂₇H₃₀FN₃O₆ 
• 405887-48-1 C₂₇H₃₀FN₃O₆ 
• 405887-55-0 C₂₇H₃₀ClN₃O₆ 
• 405887-61-8 C₂₇H₃₀ClN₃O₆ 
• 405887-25-4 tert-butyl (E)-4-{3-[4-(3-cyanophenyl)-2-hydroxy-3-buten-1-yl]-4-nitrophenoxy}piperidine-1-carboxylate 
• 337519-98-9 3-((E)-3-{4-[1-(t-butoxycarbonyl)piperidin-4-yloxy]phenylamino}-1-propenyl)benzonitrile 
• 454437-24-2 3-(3-{4-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]anilino}propyl)benzonitrile 
• 771584-87-3 3-((1E)-3-{[4-(4-methyl-1,4-diazepan-1-yl)phenyl]amino}prop-1-en-1-yl)benzonitrile 

Relevant articles and documents

Potent Inhibition of Nicotinamide N-Methyltransferase by Alkene-Linked Bisubstrate Mimics Bearing Electron Deficient Aromatics

Nicotinamide N-methyltransferase (NNMT) methylates nicotinamide (vitamin B3) to generate 1-methylnicotinamide (MNA). NNMT overexpression has been linked to a variety of diseases, most prominently human cancers, indicating its potential as a therapeutic target. The development of small-molecule NNMT inhibitors has gained interest in recent years, with the most potent inhibitors sharing structural features based on elements of the nicotinamide substrate and the S-adenosyl-l-methionine (SAM) cofactor. We here report the development of new bisubstrate inhibitors that include electron-deficient aromatic groups to mimic the nicotinamide moiety. In addition, a trans-alkene linker was found to be optimal for connecting the substrate and cofactor mimics in these inhibitors. The most potent NNMT inhibitor identified exhibits an IC50 value of 3.7 nM, placing it among the most active NNMT inhibitors reported to date. Complementary analytical techniques, modeling studies, and cell-based assays provide insights into the binding mode, affinity, and selectivity of these inhibitors.

Tubulin inhibitor

The invention provides a novel tubulin inhibitor and an application thereof. The novel tubulin inhibitor is a series of substituted heterocyclic skeleton-based compounds with colchicine binding sites in tubulins as targets. The compounds have the following structure as shown in the specification, wherein the formula is as shown in the specification; n independently represents an integer of 0-5 under the condition that n is less than or equal to 5; A represents a monosubstituted or polysubstituted group; and the group is selected from H, C1-C20 acylamino, C1-C20 acyloxy, C1-C20 alkanoyl, C1-C20 alkoxycarbonyl, C1-C20 alkoxy, C1-C20 alkylamino, C1-C20 alkylcarboxy amino, aroyl, arylalkanoyl, carboxyl, cyano, halogen, hydroxyl, nitro and methylthienyl.

Cinnamylindoline derivatives: Synthesis and factor Xa (FXa) inhibitory activities

A series of cinnamylindoline derivatives were synthesized, and their factor Xa (FXa) inhibitory activities and selectivity over trypsin were evaluated. Among them, some novel derivatives showed potent FXa inhibitory activities and good selectivity over trypsin. Especially, (E)-2-{5-[1-(acetimidoyl)piperidin-4- yloxy]-2-[2-(5-amidino-2-hydroxyphenyl)ethen-1-yl]indolin-1-ylsulfonyl}acetic acid (22f) having 2-hydroxycinnamyl moiety exhibited the most potent FXa inhibitory activity in vitro. Furthermore, 22f also exhibited potent anticoagulant activities in vitro.