903522-11-2

Basic information

• Product Name: 2,6-difluoro-N-(4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
• Synonyms: 2,6-difluoro-N-(4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
• CAS NO: 903522-11-2
• Molecular Weight: 359.181
• Mol File: 903522-11-2.mol

Chemical Properties

• CAS DataBase Reference: 2,6-difluoro-N-(4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-difluoro-N-(4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide(903522-11-2)
• EPA Substance Registry System: 2,6-difluoro-N-(4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide(903522-11-2)

Safety Data

• Hazardous Substances Data: 903522-11-2(Hazardous Substances Data)

Usage

Fluorinated benzamide derivative

The compound is derived from benzamide by introducing fluorine atoms at the 2 and 6 positions, which may contribute to its pharmacokinetics and biological activities.

Contains a boron atom

The presence of a boron atom in the compound makes it a valuable reagent for Suzuki-Miyaura cross-coupling reactions, a widely used method for forming carbon-carbon bonds.

Building block for complex molecules and pharmaceuticals

2,6-difluoro-N-(4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide is used in organic synthesis and medicinal chemistry as a building block for creating complex molecules and pharmaceuticals.

Applications in chemical research and drug discovery

Due to its unique structure and reactivity, 2,6-difluoro-N-(4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide has applications in both chemical research and drug discovery, making it a valuable tool for scientists and researchers.

Upstream product

• 916036-73-2 N-(4-bromophenyl)-2,6-difluorobenzamide 
• 73183-34-3 bis(pinacol)diborane 
• 18063-02-0 2,6-difluorobenzoylchloride 
• 106-40-1 4-bromo-aniline 
• 214360-73-3 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline 

Downstream Products

• 903522-13-4 6-chloro-4'-(2,6-difluorobenzamido)-[1,1'-biphenyl]-3-carboxylic acid 
• 1373938-48-7 2,6-difluoro-N-(2′-methyl-3′-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-[1,1′-biphenyl]-4-yl)benzamide 
• 1373938-34-1 N-(5′-(4-ethyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2′-methyl-[1,1′-biphenyl]-4-yl)-2,6-difluorobenzamide 
• 1373938-33-0 2,6-difluoro-N-(2′-methyl-5′-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-[1,1′-biphenyl]-4-yl)benzamide 
• 1373940-66-9 2,6-difluoro-N-(5'-formyl-2'-methyl-[1,1'-biphenyl]-4-yl)benzamide 
• 1373939-58-2 5-(2-amino-2-oxoethyl)-3-(4'-(2,6-difluorobenzamido)-6-methyl-[1,1'-biphenyl]-3-yl)-4,5-dihydroisoxazole-5-carboxamide 
• 1373938-80-7 methyl 3-(4'-(2,6-difluorobenzamido)-6-methyl-[1,1'-biphenyl]-3-yl)-5-(2-methoxy-2-oxoethyl)-4,5-dihydroisoxazole-5-carboxylate 
• 1373940-67-0 2,6-difluoro-N-(5'-((hydroxyimino)methyl)-2'-methyl-[1,1'-biphenyl]-4-yl)benzamide 
• 1220095-50-0 2,6-difluoro-N-(2'-methyl-5'-(pyridin-2-ylamino)biphenyl-4-yl)benzamide 
• 1028700-26-6 ethyl 1-benzyl-5-(4-(2,6-difluorobenzamido)phenyl)-1,2,3,6-tetrahydropyridine-4-carboxylate 

Relevant articles and documents

Discovery of a Novel Potent and Selective Calcium Release-Activated Calcium Channel Inhibitor: 2,6-Difluoro- N-(2′-methyl-3′-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-[1,1′-biphenyl]-4-yl)benzamide. Structure-Activity Relationship and Preclinical Characterization

The role of calcium release-activated calcium (CRAC) channels is well characterized and is of particular importance in T-cell function. CRAC channels are involved in the pathogenesis of several autoimmune diseases, making it an attractive therapeutic target for treating inflammatory diseases, like rheumatoid arthritis (RA). A systematic structure-activity relationship study with the goal of optimizing lipophilicity successfully yielded two lead compounds, 36 and 37. Both compounds showed decent potency and selectivity and a remarkable pharmacokinetic profile. Further characterization in in vivo RA models and subsequent histopathological evaluation of tissues led to the identification of 36 as a clinical candidate. Compound 36 displayed an excellent safety profile and had a sufficient safety margin to qualify it for use in human testing. Oral administration of 36 in Phase 1 clinical study in healthy volunteers established favorable safety, tolerability, and good target engagement as measured by levels of IL-2 and TNF-α.

OXAZOLE AND ISOXAZOLE CRAC MODULATORS

The present invention relates to compounds of Formula (I) along with processes for their preparation that are useful for treating, preventing and/or managing the diseases, disorders, syndromes or conditions associated with the modulation of CRAC. The invention further relates to methods of treating, preventing managing and/or lessening the diseases, disorders, syndromes or conditions associated with the modulation of CRAC of Formula (I).

HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES

The invention relates to compounds that are useful as immunosuppressive agents and for treating and preventing inflammatory conditions, allergic disorders, and immune disorders.

PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES

The invention relates to compounds of structural formula (I): or a pharmaceutically acceptable salt, solvate, clathrate, or prodrug thereof, wherein R1, X1, X2, Y, Z, L, and n are defined herein. The compounds are useful a

Compounds for inflammation and immune-related uses

The invention relates to compounds of structural formulas (I), (VII) and (XI): or a pharmaceutically acceptable salt, solvate, clathrate, or prodrug thereof, wherein X1, X2, X3, Y, Z, L, R1, R2, Rsub