31271-85-9

Basic information

• Product Name: 1H-Indole-4-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, methyl ester
• CAS NO: 31271-85-9
• Molecular Formula: C17H15NO4S
• Molecular Weight: 329.376
• Mol File: 31271-85-9.mol
• Article Data: 12

Chemical Properties

• CAS DataBase Reference: 1H-Indole-4-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indole-4-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, methyl ester(31271-85-9)
• EPA Substance Registry System: 1H-Indole-4-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, methyl ester(31271-85-9)

Safety Data

• Hazardous Substances Data: 31271-85-9(Hazardous Substances Data)

Upstream product

• 110073-71-7 2-vinyl-3-carbomethoxy-N-tosylaniline 
• 1122-58-3 dmap 
• 39830-66-5 methyl 1H-indole-4-carboxylate 
• 98-59-9 p-toluenesulfonyl chloride 
• 112970-48-6 2-bromo-3-carbomethoxy-N-tosylaniline 
• 41085-43-2 2-bromo-3-nitrotoluene 
• 570-24-1 2-Methyl-6-nitroaniline 
• 175227-87-9 Trifluoro-methanesulfonic acid 1-(toluene-4-sulfonyl)-6,7-dihydro-1H-indol-4-yl ester 
• 35577-89-0 1-[(4-methylbenzene)sulfonyl]-4,5,6,7-tetrahydro-1H-indol-4-one 
• 175227-88-0 1-(Toluene-4-sulfonyl)-6,7-dihydro-1H-indole-4-carboxylic acid methyl ester 
• 106896-48-4 methyl 2-bromo-3-aminobenzoate 
• 5337-09-7 2-bromo-3-nitro-benzoic acid methyl ester 

Downstream Products

• 124337-85-5 α,α-dimethyl-1-(p-toluenesulfonyl)-1H-indole-4-methanol 
• 71516-38-6 4-(hydroxymethyl)-1-<(4-methylphenyl)sulfonyl>-1H-indole 
• 131573-05-2 2-<1-(4-indolyl)-1-methylethyl>cyclohexanone 
• 131573-03-0 4-Isopropenyl-1-(toluene-4-sulfonyl)-1H-indole 
• 131573-01-8 4-methyl-4-(1-p-toluenesulfonyl-4-indolyl)-2-pentanone 
• 131573-07-4 6,6-Dimethyl-2-(toluene-4-sulfonyl)-2,6-dihydro-2-aza-aceanthrylene 
• 131572-92-4 2,6,7,8,9,10-hexahydro-6,6-dimethyl-2-p-toluenesulfonylnaphth<1.2.3-cd>indole 
• 131573-13-2 2-<1-methyl-1-(1-p-toluenesulfonyl-4-indolyl)ethyl>cyclohexanone 
• 131573-09-6 6,6-Dimethyl-2-(toluene-4-sulfonyl)-2,7,8,9-tetrahydro-6H-2-aza-aceanthrylen-10-one 
• 131573-02-9 3-methyl-6-<1-methyl-1-(1-p-toluenesulfonyl-4-indolyl)ethyl>-1,2-cyclohexanediol 
• 131573-10-9 7-Hydroxy-6,6-dimethyl-2-(toluene-4-sulfonyl)-2,7,8,9-tetrahydro-6H-2-aza-aceanthrylen-10-one 
• 1444-12-8 1-methyl-1H-indole-4-carboxylic acid methyl ester 
• 78118-62-4 4-(bromomethyl)-1-(p-tolylsulfonyl)indole 
• 1322744-51-3 3-bromo-1-(toluene-4-sulfonyl)-1H-indole-4-carboxylic acid methyl ester 

Relevant articles and documents

The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor

The profound efficacy, yet associated toxicity of pan-BET inhibitors is well documented. The possibility of an ameliorated safety profile driven by significantly selective (>100-fold) inhibition of a subset of the eight bromodomains is enticing, but challenging given the close homology. Herein, we describe the X-ray crystal structure-directed optimization of a novel weak fragment ligand with a pan-second bromodomain (BD2) bias, to potent and highly BD2 selective inhibitors. A template hopping approach, enabled by our parallel research into an orthogonal template (15, GSK046), was the basis for the high selectivity observed. This culminated in two tool molecules, 20 (GSK620) and 56 (GSK549), which showed an anti-inflammatory phenotype in human whole blood, confirming their cellular target engagement. Excellent broad selectivity, developability, and in vivo oral pharmacokinetics characterize these tools, which we hope will be of broad utility to the field of epigenetics research.

PYRIDINONE DICARBOXAMIDE FOR USE AS BROMODOMAIN INHIBITORS

The present invention relates to compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and to their use in therapy.

2-OXO-1,2-DIHYDROPYRIDINE-3,5-DICARBOXAMIDE COMPOUNDS AS BROMODOMAIN INHIBITORS

The present invention relates to compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and to their use in therapy