2170608-82-7

Basic information

• Product Name: 6-(4-(2-(4-isopropylphenyl)acetyl)piperazin-1-yl)pyridazine-3-carbonitrile
• CAS NO: 2170608-82-7
• Molecular Weight: 349.436
• Mol File: 2170608-82-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 6-(4-(2-(4-isopropylphenyl)acetyl)piperazin-1-yl)pyridazine-3-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 6-(4-(2-(4-isopropylphenyl)acetyl)piperazin-1-yl)pyridazine-3-carbonitrile(2170608-82-7)
• EPA Substance Registry System: 6-(4-(2-(4-isopropylphenyl)acetyl)piperazin-1-yl)pyridazine-3-carbonitrile(2170608-82-7)

Safety Data

• Hazardous Substances Data: 2170608-82-7(Hazardous Substances Data)

Usage

General Description

6-(4-(2-(4-isopropylphenyl)acetyl)piperazin-1-yl)pyridazine-3-carbonitrile is a chemical compound with a complex structure that includes a pyridazine core with a piperazine and acetyl group attached to it. The compound also contains a carbonitrile functional group, which gives it potential applications in pharmaceutical research. The presence of the isopropylphenyl group further adds to its complexity and potential biological activity. Due to its unique structure, this compound may have significant implications in medicinal chemistry and drug development, making it an interesting target for further study and exploration.

Upstream product

• 4476-28-2 (4-isopropylphenyl)acetic acid 
• 35857-89-7 6-chloropyridazine-3-carbonitrile 

Relevant articles and documents

LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators

Pantothenate kinase (PANK) is the critical regulator of intracellular levels of coenzyme A and has emerged as an attractive target for treating neurological and metabolic disorders. This report describes the optimization, synthesis, and full structure–activity relationships of a new chemical series of pantothenate competitive PANK inhibitors. Potent drug-like molecules were obtained by optimizing a high throughput screening hit, using lipophilic ligand efficiency (LipE) derived from human PANK3 IC50 values to guide ligand development. X-ray crystal structures of PANK3 with index inhibitors from the optimization were determined to rationalize the emerging structure activity relationships. The analysis revealed a key bidentate hydrogen bonding interaction between pyridazine and R306′ as a major contributor to the LipE gain observed in the optimization. A tractable series of PANK3 modulators with nanomolar potency, excellent LipE values, desirable physicochemical properties, and a well-defined structural binding mode was produced from this study.