1006380-18-2

Basic information

• Product Name: N-(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide
• Synonyms: N-(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide
• CAS NO: 1006380-18-2
• Molecular Formula: C14H22BNO4S
• Molecular Weight: 311.21
• EINECS: -0
• Mol File: 1006380-18-2.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: N-(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide(1006380-18-2)
• EPA Substance Registry System: N-(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide(1006380-18-2)

Safety Data

• Hazardous Substances Data: 1006380-18-2(Hazardous Substances Data)

Upstream product

• 7149-70-4 2-bromo-5-nitrotoluene 
• 883715-40-0 2-(2-methyl-4-nitrophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane 
• 73183-34-3 bis(pinacol)diborane 
• 631911-01-8 3-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenylamine 
• 124-63-0 methanesulfonyl chloride 
• 149105-00-0 N-(4-bromo-3-methylphenyl)methanesulfonamide 

Downstream Products

• 1357093-77-6 N-(4-(5-bromo-4-methoxypyridin-3-yl)-3-methylphenyl)methanesulfonamide 
• 1312099-10-7 N-(4-(4-bromo-2-formylthiophen-3-yl)-3-methylphenyl)methanesulfonamide 

Relevant articles and documents

Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3)

T-cell immunoglobulin and mucin domain-containing molecule 3 (TIM-3; HAVCR2) has emerged as an attractive immune checkpoint target for cancer immunotherapy. TIM-3 is a negative regulator of the systemic immune response to cancer and is expressed on several dysfunctional, or exhausted, immune cell subsets. Upregulation of TIM-3 is associated with tumor progression, poor survival rates, and acquired resistance to antibody-based immunotherapies in the clinic. Despite the potential advantages of small-molecule inhibitors over antibodies, the discovery of small-molecule inhibitors has lagged behind that of antibody therapeutics. Here, we describe the discovery of high-affinity small-molecule ligands for TIM-3 through an NMR-based fragment screen and structure-based lead optimization. These compounds represent useful tools to further study the biology of TIM-3 immune modulation in cancer and serve as a potentially useful starting point toward the discovery of TIM-3-targeted therapeutics.

NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE

The present invention is directed to novel thiophene inhibitors of S-nitrosoglutathione reductase (GSNOR), pharmaceutical compositions comprising such GSNOR inhibitors, and methods of making and using the same.