60217-76-7

Usage

Uses

Used in Pharmaceutical Industry:
1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is used as a building block for the synthesis of pharmaceutical compounds due to its structural features and functional groups. It is particularly useful in the development of drugs with potential anti-inflammatory, analgesic, or antifungal properties.
Used in Medicinal Chemistry:
1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is used as a versatile compound in medicinal chemistry for its potential applications in the synthesis of various drugs. Its unique structure and functional groups make it an interesting target for research and development in this field.
Used in Organic Synthesis:
1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is used as a key compound in organic synthesis, where its unique structure and functional groups can be exploited to create a wide range of chemical products and intermediates for further research and development.

InChI:InChI=1/C13H12ClNO2/c1-8-7-12(13(16)17)9(2)15(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,16,17)

Upstream product

• 41892-81-3 ethyl 2-acetyl-4-oxopentanoate 
• 259654-81-4 ethyl 1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate 

Relevant academic research and scientific papers

Discovery of Novel Inhibitors of Uridine Diphosphate- N-Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa, an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients

Pseudomonas aeruginosa is of major concern for cystic fibrosis patients where this infection can be fatal. With the emergence of drug-resistant strains, there is an urgent need to develop novel antibiotics against P. aeruginosa. MurB is a promising target

Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity

The Wnt family of proteins are secreted signaling proteins that play key roles in regulating cellular functions. Recently, carboxylesterase Notum was shown to act as a negative regulator of Wnt signaling by mediating the removal of an essential palmitoleate. Here we disclose two new chemical scaffolds that inhibit Notum enzymatic activity. Our approach was to create a fragment library of 250 acids for screening against Notum in a biochemical assay followed by structure determination by X-ray crystallography. Twenty fragments were identified as hits for Notum inhibition, and 14 of these fragments were shown to bind in the palmitoleate pocket of Notum. Optimization of 1-phenylpyrrole 20, guided by structure-based drug design, identified 20z as the most potent compound from this series. Similarly, the optimization of 1-phenylpyrrolidine 8 gave acid 26. This work demonstrates that inhibition of Notum activity can be achieved by small, drug-like molecules possessing favorable in vitro ADME profiles.