56578-39-3

Basic information

• Product Name: 2-PROPENAL, 3-(3-NITROPHENYL)-,(2E)
• Synonyms: M-NITROCINNAMALDEHYDE;2-PROPENAL, 3-(3-NITROPHENYL)-,(2E);3-NITROCINNAMALDEHYDE;(2E)-3-(3-nitrophenyl)prop-2-enal
• CAS NO: 56578-39-3
• Molecular Formula: C₉H₇NO₃
• Molecular Weight: 177.16
• Mol File: 56578-39-3.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 337.1 °C at 760 mmHg
• Flash Point: 170.2 °C
• Appearance: /
• Density: 1.269 g/cm³
• Vapor Pressure: 0.000107mmHg at 25°C
• Refractive Index: 1.617
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-PROPENAL, 3-(3-NITROPHENYL)-,(2E)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-PROPENAL, 3-(3-NITROPHENYL)-,(2E)(56578-39-3)
• EPA Substance Registry System: 2-PROPENAL, 3-(3-NITROPHENYL)-,(2E)(56578-39-3)

Safety Data

• Hazardous Substances Data: 56578-39-3(Hazardous Substances Data)

Usage

General Description

2-PROPENAL, 3-(3-NITROPHENYL)-,(2E) is a chemical compound with the molecular formula C9H7NO3. It is also known as 2-propenal, 3-(3-nitrophenyl)-, (2E) and is a yellow to light-brown solid with a pungent odor. 2-PROPENAL, 3-(3-NITROPHENYL)-,(2E) is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also used as a flavoring agent in the food industry. 2-PROPENAL, 3-(3-NITROPHENYL)-,(2E) has potential health effects, including irritation to the skin, eyes, and respiratory system, and is considered harmful if ingested. Proper handling and protective measures are necessary when working with this compound.

InChI:InChI=1/C9H7NO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-7H/b4-2+

Upstream product

• 1772-65-2 (E)-4-(3-nitrophenyl)-2-oxo-3-butenoic acid 
• 99-61-6 3-nitro-benzaldehyde 
• 75-07-0 acetaldehyde 
• 35418-05-4 (E)-3-nitrocinnamic acid chloride 
• 198783-53-8 3-(3-nitrophenyl)propanal 
• 645-00-1 m-iodonitrobenzene 
• 63307-44-8 3-(3-nitrophenyl)-1-propanol 
• 107-02-8 acrolein 
• 1504-64-9 (E)-3-(3-nitrophenyl)prop-2-en-1-ol 
• 2136-75-6 (triphenylphosphoranylidene)acetaldehyde 

Downstream Products

• 115951-96-7 2,6-Dimethyl-4-[(E)-2-(3-nitro-phenyl)-vinyl]-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester 
• 856427-34-4 methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate 
• 724764-31-2 methyl 1-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate 
• 403502-28-3 Methyl 5-(3-nitrophenyl)-1H-pyrrole-2-carboxylate 
• 403502-13-6 5-(3-nitro-phenyl)-1H-pyrrole-2-carboxylic acid 
• 403502-40-9 [5-(3-amino-phenyl)-1H-pyrrol-2-yl]-[4-(3-isopropylamino-pyridin-2-yl)-piperazin-1-yl]-methanone 
• 403502-19-2 [4-(3-isopropylamino-pyridin-2-yl)-piperazin-1-yl]-[5-(3-nitro-phenyl)-1H-pyrrol-2-yl]-methanone 

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.

Synthesis of Nitrogen-Containing Goniothalamin Analogues with Higher Cytotoxic Activity and Selectivity against Cancer Cells

Two series of racemic goniothalamin analogues displaying nitrogen-containing groups were designed and synthesized. A total of 19 novel analogues were evaluated against a panel of four different cancer cell lines, along with the normal prostate cell line PNT2 to determine their selectivity. Among them, goniothalamin chloroacrylamide 13 e displayed the lowest IC50 values for both MCF-7 (0.5 μm) and PC3 (0.3 μm) cells, about 26-fold more potent than goniothalamin (1). Besides its higher potency, compound 13 e also displayed much higher selectivity than goniothalamin. In contrast, goniothalamin isobutyramide 13 c was the most potent analogue against Caco-2 cells (IC50=0.8 μm), about 10-fold more potent and 17-fold more selective than 1. These results reveal the potential of compounds 13 c and 13 e for further in vivo studies, representing the first goniothalamin analogues with IC50 values in the low micromolar range and high selectivity against MCF-7, Caco-2, and PC3 cancer cell lines.

Anti-tumor compounds

The invention discloses anti-tumor compounds. The compounds target a Neddylation pathway. The compounds have a structural formula represented in a general formula I or a general formula II or a general formula III or a general formula IV or a general formula V or a general formula VI. The compounds have good anti-tumor activity, and multiple compounds are close to a positive control drug MLN4924,and can be used as good anti-tumor compounds. A combined therapy is provided through combined adoption of the compounds and compositions with other drugs, and a part of the same compositions can be formed by the drugs, or the drugs can be administered as separate components at the same time or at different time.