840521-76-8

Basic information

• Product Name: N-(2-DIMETHYLAMINOETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
• Synonyms: N-[2-(N',N'-DIMETHYLAMINO)ETHYL]BENZAMIDE-3-BORONIC ACID, PINACOL ESTER;N-(2-DIMETHYLAMINOETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE;3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, pinacol ester;N-[2-(diMethylaMino)ethyl]-3-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzaMide;3-{[2-(Dimethylamino)ethyl]carbamoyl}benzeneboronic acid, pinacol ester;N-[2-(Dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, 3-({[2-(Dimethylamino)ethyl]amino}carbonyl)benzeneboronic acid, pinacol ester
• CAS NO: 840521-76-8
• Molecular Formula: C₁₇H₂₇BN₂O₃
• Molecular Weight: 318.22
• Product Categories: Heterocyclic Compounds
• Mol File: 840521-76-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 454.6°C at 760 mmHg
• Flash Point: 228.8°C
• Appearance: /
• Density: 1.07g/cm³
• Vapor Pressure: 1.88E-08mmHg at 25°C
• Refractive Index: 1.519
• Storage Temp.: 2-8°C
• CAS DataBase Reference: N-(2-DIMETHYLAMINOETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: N-(2-DIMETHYLAMINOETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE(840521-76-8)
• EPA Substance Registry System: N-(2-DIMETHYLAMINOETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE(840521-76-8)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 840521-76-8(Hazardous Substances Data)

Usage

General Description

N-(2-Dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is a complex organic compound with a long and intricate chemical structure. It contains a benzamide group as well as a boron-containing ring, and it also features a dimethylaminoethyl group. N-(2-DIMETHYLAMINOETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE is potentially important for research and development in the fields of pharmaceuticals, organic chemistry, and materials science due to its diverse and unique chemical composition.

InChI:InChI=1/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-9-7-8-13(12-14)15(21)19-10-11-20(5)6/h7-9,12H,10-11H2,1-6H3,(H,19,21)

Upstream product

• 269409-73-6 3-carboxyphenylboronic acid pinacol ester 
• 108-00-9 N,N-dimethylethylenediamine 

Downstream Products

• 1034296-87-1 3-(6-amino-pyridin-3-yl)-N-(2-dimethylamino-ethyl)-benzamide 
• 1034297-68-1 N-(2-dimethylamino-ethyl)-3-[5-(3-methoxy-phenyl)-6-methylamino-pyridin-3-yl]-benzamide 
• 1034296-56-4 3-[5-amino-6-(2-methoxy-phenyl)-pyrazin-2-yl]-N-(2-dimethylamino-ethyl)-benzamide 
• 1034296-35-9 N-(2-dimethylamino-ethyl)-3-[6-(4-hydroxy-3-methoxy-phenyl)-pyrazin-2-yl]-benzamide 
• 1312579-40-0 3-[4-chloro-1-methyl-2-(4-piperazin-1-yl-phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-dimethylamino-ethyl)-benzamide 
• 1345014-55-2 N-[2-(dimethylamino)ethyl]-3'-{4-[(3-methoxyphenyl)amino]-5-oxo-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl}biphenyl-3-carboxamide 

Relevant articles and documents

MAP4K4 INHIBITORS

This invention relates to pyrrolopyrimidine comprising compounds that may be useful as inhibitors of Mitogen-activated Protein Kinase Kinase Kinase Kinase-4 (MAP4K4). The invention also relates to the use of these pyrrolopyrimidine comprising compounds, f

Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships

Cyclic nucleotide cAMP is a ubiquitous secondary messenger involved in a plethora of cellular responses to biological agents involving activation of adenylyl cyclase. Its intracellular levels are tightly controlled by a family of cyclic nucleotide degrading enzymes, the PDEs. In recent years, cyclic nucleotide phosphodiesterase type 4 (PDE4) has aroused scientific attention as a suitable target for anti-inflammatory therapy in respiratory diseases, particularly in the management of asthma and COPD. Here we describe our efforts to discover novel, highly potent inhaled inhibitors of PDE4. Through structure based design, with the inclusion of a variety of functional groups and physicochemical profiles in order to occupy the solvent-filled pocket of the PDE4 enzyme, we modified the structure of our oral PDE4 inhibitors to reach compounds down to picomolar enzymatic potencies while at the same time tackling successfully an uncovered selectivity issue with the adenosine receptors. In vitro potencies were demonstrated in a rat lung neutrophilia model by administration of a suspension with a Penn-Century MicroSprayer Aerosolizer.

3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors

New pyridazin-3(2H)-one derivatives having the chemical structure of formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of the phosphodiesterase IV (PDE4).