21139-31-1

Usage

Chemical Properties

Yellow crystalline powder

InChI:InChI=1/C15H10ClNO2/c16-10-6-7-12-11(8-10)13(14(17-12)15(18)19)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)/p-1

Upstream product

• 21139-32-2 ethyl 3-phenyl-5-chloroindole-2-carboxylate 
• 46115-41-7 phenyl pyruvic acid 
• 93704-68-8 ethyl 3-bromo-5-chloroindole-2-carboxylate 
• 4792-67-0 5-chloro-indole-2-carboxylic acid ethyl ester 

Downstream Products

• 1250441-90-7 5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-1H-indole-2-carboxamide 
• 120608-12-0 2-[(5-Chloro-3-phenyl-1H-indole-2-carbonyl)-amino]-benzoic acid ethyl ester 
• 120608-21-1 2-Chloro-13-phenyl-11H-benzo[5,6][1,4]diazepino[1,2-a]indole-6,12-dione 
• 24107-01-5 5-chloro-3-phenyl-1H-indole-2-carbonyl chloride 

Relevant academic research and scientific papers

Design, synthesis and pharmacophoric model building of new 3-alkoxymethyl/3-phenyl indole-2-carboxamides with potential antiproliferative activity

Novel 3-alkoxymethyl/3-phenyl indole-2-carboxamide derivatives were synthesized and evaluated for their anticancer activity. Most of the tested compounds showed moderate to excellent activity against the tested cell lines (MCF7 and HCT116). 3-Phenyl substitution on indole with p-piperidinyl phenethyl 24a and p-dimethylamino phenethyl 24c exhibited anticancer activity against MCF7 with IC50 of 0.13 and 0.14?μm, respectively. Further mechanistic study of the most active compounds through their action on cell cycle showed disturbance in cell cycle progression and cell cycle arrest. For future development of this series of compounds, pharmacophore study was conducted which indicated that the enhancement of the activity could be achieved through the addition of acceptor or donating groups to the already-present indole nucleus.

Structure-based virtual screening to get new scaffold inhibitors of the Ser/Thr protein kinase PknB from mycobacterium tuberculosis

In search of new inhibitors of the Ser/Thr protein kinase PknB from Mycobacterium tuberculosis we carried out a structure-based virtual screening study to identify ATP-competitive inhibitors of this enzyme. These studies point out that N-phenylmethylindole-2-carboxamide is a promising scaffold for the development of new PknB inhibitors. We synthesized a small set of analogue compounds to assess the pharmacophore structural requirements and to optimize the inhibitory activity against PknB. This strategy led to the identification of compound 3, endowed with an IC50 of 20 μM, which provides a novel scaffold for further improvement of PknB inhibitors.

NOVEL NEUROTRYPSIN INHIBITORS

The invention relates to novel acylamino-hydroxy-benzamides of formula (I), wherein R1 is phenyl substituted by phenyl, phenoxy, phenylamino or heteroaryl, all optionally further substituted; bicyclic aryl, monocyclic heteroaryl substituted by

Combinatorial library of 3-aryl-1h-indole-2-carboxylic acid

Combinatorial libraries that contains various different 4, 5 fused 3-substituted-2-pyrrolocarboxylic acids for screening pharmacological activity and methods of synthesizing said libraries.