929916-05-2

Basic information

• Product Name: DG 051 (free base)
• Synonyms: DG 051 (free base);4-((S)-2-((4-(4-chlorophenoxy)phenoxy)Methyl)pyrrolidin-1-yl)butanoic acid;4-[(2S)-2-{[4-(4-Chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]but anoic acid;(S)-4-(2-((4-(4-Chlorophenoxy)phenoxy)methyl)pyrrolidin-1-yl)butanoic acid
• CAS NO: 929916-05-2
• Molecular Formula: C₂₁H₂₄ClNO₄
• Molecular Weight: 389.87256
• Mol File: 929916-05-2.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: DG 051 (free base)(CAS DataBase Reference)
• NIST Chemistry Reference: DG 051 (free base)(929916-05-2)
• EPA Substance Registry System: DG 051 (free base)(929916-05-2)

Safety Data

• Hazardous Substances Data: 929916-05-2(Hazardous Substances Data)

Usage

Description

DG 051 (free base) is a chemical compound with the potential to act as a pharmaceutical drug. It is an inhibitor of the enzyme leucyl-tRNA synthetase, which is involved in protein synthesis. DG 051 (free base) has shown promise in preclinical studies for its ability to inhibit the growth of cancer cells and has been investigated as a potential treatment for various types of cancer. In addition to its anti-cancer properties, DG 051 (free base) has also demonstrated anti-inflammatory effects, making it a potential candidate for the development of new anti-cancer and anti-inflammatory drugs.

Uses

Used in Pharmaceutical Industry:
DG 051 (free base) is used as an inhibitor of leucyl-tRNA synthetase for its potential to inhibit the growth of cancer cells and as a treatment for various types of cancer.
DG 051 (free base) is used as an anti-inflammatory agent for its potential to reduce inflammation and as a candidate for the development of new anti-inflammatory drugs.
Further research is needed to fully understand the therapeutic potential of DG 051 (free base) and to evaluate its safety and efficacy in clinical trials.

Upstream product

• 1198149-97-1 ethyl 4-{(2S)-2-[4-(4-chlorophenoxy)phenoxymethyl]pyrrolidin-1-yl}butyrate 
• 929915-58-2 4-{(S)-2-(4-(4-chlorophenoxy)phenoxymethyl)pyrrolidin-1-yl}-1-butyric acid hydrochloride 

Downstream Products

• 929915-58-2 4-{(S)-2-(4-(4-chlorophenoxy)phenoxymethyl)pyrrolidin-1-yl}-1-butyric acid hydrochloride 
• 929916-06-3 4-{(S)-2-[4-(4-chloro-phenyloxy)-phenoxymethyl]-pyrrolidin-1-yl}-butyric acid phenylsulfonate 

Relevant articles and documents

Discovery of 4-[(2S)-2-{[4-(4-Chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl] butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis

Both in-house human genetic and literature data have converged on the identification of leukotriene 4 hydrolase (LTA4H) as a key target for the treatment of cardiovascular disease. We combined fragmentbased crystallography screening with an iterative medicinal chemistry effort to optimize inhibitors of LTA4H. Ligand efficiency was followed throughout our structure-activity studies. As applied within the context of LTA4H inhibitor design, the chemistry team was able to design a potent compound 20 (DG-051) (Kd=26 nM) with high aqueous solubility (>30 mg/mL) and high oral bioavailability (>80% across species) that is currently undergoing clinical evaluation for the treatment of myocardial infarction and stroke. The structural biology-chemistry interaction described in this paper provides a sound alternative to conventional screening techniques. This is the first example of a gene-to-clinic paradigm enabled by a fragment-based drug discovery effort.

BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION

The present invention relates to a chemical genus of biaryl substituted heterocycle inhibitors of LTA4H (leukotriene A4 hydrolase) useful for the treatment and prevention and prophylaxis of inflammatory diseases and disorders. The compounds have general formula Ψ: An example is