313670-97-2

Basic information

• Product Name: ((3-BROMO-4-METHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE
• Synonyms: CHEMBRDG-BB 5284071;((3-BROMO-4-METHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE;(3-BROMO-4-METHOXYBENZYLIDENE)MALONONITRILE;RARECHEM AL BX 0247
• CAS NO: 313670-97-2
• Molecular Formula: C11H7BrN2O
• Molecular Weight: 263.09
• Mol File: 313670-97-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 156 °C(Solv: isopropanol (67-63-0))
• Boiling Point: 400.5°C at 760 mmHg
• Flash Point: 196°C
• Appearance: /
• Density: 1.514g/cm³
• Vapor Pressure: 1.26E-06mmHg at 25°C
• Refractive Index: 1.617
• CAS DataBase Reference: ((3-BROMO-4-METHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: ((3-BROMO-4-METHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE(313670-97-2)
• EPA Substance Registry System: ((3-BROMO-4-METHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE(313670-97-2)

Safety Data

• Hazardous Substances Data: 313670-97-2(Hazardous Substances Data)

Usage

General Description

The chemical compound (3-Bromo-4-methoxyphenyl)methylenemethane-1,1-dicarbonitrile is a highly specific and complex organic compound. It is derived from the combination of a 3-bromo-4-methoxyphenyl group with a methylenemethane-1,1-dicarbonitrile group. ((3-BROMO-4-METHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE is commonly used in organic synthesis due to its unique chemical properties and reactivity. It is often utilized in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. The compound's structure and reactivity make it a significant molecule in the field of organic chemistry, and it has various potential applications in research and industry.

InChI:InChI=1/C11H7BrN2O/c1-15-11-3-2-8(5-10(11)12)4-9(6-13)7-14/h2-5H,1H3

Upstream product

• 34841-06-0 3-bromo-4-methoxybenzylaldehyde 
• 109-77-3 malononitrile 
• 38493-59-3 (3-bromo-4-methoxy-phenyl)-methanol 

Relevant articles and documents

Triazole-Pyridine Dicarbonitrile Targets Phosphodiesterase 4 to Induce Cytotoxicity in Lung Carcinoma Cells

Phosphodiesterase 4 (PDE4) is a key enzyme involved in the hydrolysis of cyclic adenosine monophosphate (cAMP) and widely expressed in several types of cancers. The inhibition of PDE4 results in an increased concentration of intracellular cAMP levels that imparts the anti-inflammatory response in the target cells. In the present report, two series of triazolo-pyridine dicarbonitriles and substituted dihydropyridine dicarbonitriles were synthesized using green protocol (TBAB in refluxed water). We next evaluated the title compounds for their cytotoxicity towards lung cancer (A549) cells and identified 7′-[4-(methylsulfonyl)phenyl]-5′-oxo-1′,5′-dihydrospiro[cyclohexane-1,2′-[1,2,4]triazolo[1,5-a]pyridine]-6′,8′-dicarbonitrile (5h) and 7′-(1-methyl-1H-imidazol-2-yl)-5′-oxo-1′,5′-dihydrospiro[cyclohexane-1,2′-[1,2,4]triazolo[1,5-a]pyridine]-6′,8′-dicarbonitrile (5j) as lead analogs with the IC50 values of 15.2 and 24.1 μm, respectively. Furthermore, all the new compounds were tested for PDE4 inhibitory activity and 5j showed relatively good inhibitory activity towards PDE4 with inhibition of 50.9 % at 10 μm. In silico analysis demonstrated the favorable interaction of the title compounds with the target enzyme. Taken together, the present study introduces a new scaffold for the development of novel PDE4 inhibitors to fight against inflammatory diseases.

MOLPRINT 2D-based identification and synthesis of novel chromene based small molecules that target PLA2: Validation through chemo- and bioinformatics approaches

Phospholipase A2 (PLA2) is known to regulate inflammation and hence it is considered as a validated drug-target by medicinal chemists. In this report, we have identified and considered a highly ranked ligand from the ZINC-drug-like compounds database that