229339-09-7

Basic information

• Product Name: Benzo[b]thiophene-2-carboxaMide, 3-chloro-N-[2-[[(4-chlorophenyl)aMino]carbonyl]-4-Methylphenyl]-
• Synonyms: Benzo[b]thiophene-2-carboxaMide, 3-chloro-N-[2-[[(4-chlorophenyl)aMino]carbonyl]-4-Methylphenyl]-;3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
• CAS NO: 229339-09-7
• Molecular Formula: C23H16Cl2N2O2S
• Molecular Weight: 455.35634
• Mol File: 229339-09-7.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzo[b]thiophene-2-carboxaMide, 3-chloro-N-[2-[[(4-chlorophenyl)aMino]carbonyl]-4-Methylphenyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzo[b]thiophene-2-carboxaMide, 3-chloro-N-[2-[[(4-chlorophenyl)aMino]carbonyl]-4-Methylphenyl]-(229339-09-7)
• EPA Substance Registry System: Benzo[b]thiophene-2-carboxaMide, 3-chloro-N-[2-[[(4-chlorophenyl)aMino]carbonyl]-4-Methylphenyl]-(229339-09-7)

Safety Data

• Hazardous Substances Data: 229339-09-7(Hazardous Substances Data)

Upstream product

• 106-47-8 4-chloro-aniline 
• 215777-91-6 2-(3-chloro-benzo[b]thiophen-2-yl)-6-methyl-benzo[d][1,3]oxazin-4-one 
• 21815-91-8 3-chlorobenzo[b]thiophen-2-carbonyl chloride 
• 21211-22-3 3-chloro-1-benzothiophene-2-carboxylic acid 
• 2941-78-8 2-Amino-5-methylbenzoic acid 
• 38818-49-4 5-methyl-2-nitrobenzoyl chloride 
• 3113-72-2 5-methyl-2-nitrobenzoic acid 

Relevant articles and documents

Structure-activity relationships of substituted benzothiophene-anthranilamide factor Xa inhibitors

Compound 1 was identified by high throughput screening as a novel, potent, non-amidine factor Xa inhibitor with good selectivity against thrombin and trypsin. A series of modifications of the three aromatic groups of 1 was investigated. Substitution of chlorine or bromine for fluorine on the aniline ring led to the discovery of subnanomolar factor Xa inhibitors. Positions on the anthranilic acid ring that can accommodate further substitution were also identified.

Neutral inhibitors of the serine protease factor Xa

A neutral inhibitor of the serine protease factor Xa was identified via a high-throughput screen of a commercial library. The initial lead 1 demonstrated reversible and competitive inhibition kinetics for factor Xa and possessed a high degree of selectivity versus other related serine proteases. Initial modeling efforts and the generation of a series of analogues of 1 are described.

ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS

This invention is directed to compounds of formula (III): STR1 wherein B, C, D, E, R 1, R 2 and R 3 are disclosed herein. These compounds are disclosed as being useful as anti-coagulants.