429676-93-7

Basic information

• Product Name: CATHEPSIN G INHIBITOR I
• Synonyms: CATHEPSIN G INHIBITOR I
• CAS NO: 429676-93-7
• Molecular Formula: C36H33N2O6P
• Molecular Weight: 620.630781
• Product Categories: A potent, selective, reversible, competitive, non-peptide inhibitor of cathepsin G.
• Mol File: 429676-93-7.mol

Chemical Properties

• Boiling Point: 912.0±75.0 °C(Predicted)
• Appearance: /
• Density: 1.40±0.1 g/cm3(Predicted)
• Solubility: Soluble in DMSO
• PKA: 1.51±0.10(Predicted)
• Sensitive: Light Sensitive
• CAS DataBase Reference: CATHEPSIN G INHIBITOR I(CAS DataBase Reference)
• NIST Chemistry Reference: CATHEPSIN G INHIBITOR I(429676-93-7)
• EPA Substance Registry System: CATHEPSIN G INHIBITOR I(429676-93-7)

Safety Data

• Hazardous Substances Data: 429676-93-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Cathepsin G inhibitor I is used as a therapeutic agent for targeting cathepsin G, which plays a role in various diseases and conditions. Its selective inhibition can help in the development of treatments for conditions where cathepsin G activity is a contributing factor.
Used in Research Applications:
Cathepsin G inhibitor I is used as a research tool for studying the role of cathepsin G in biological processes and disease mechanisms. Its potent and selective inhibition allows researchers to investigate the specific functions and interactions of cathepsin G in cellular and molecular contexts.
Used in Drug Development:
Cathepsin G inhibitor I is used as a lead compound in the development of new drugs targeting cathepsin G. Its potent inhibition of the enzyme can serve as a starting point for designing and optimizing more effective and selective inhibitors for therapeutic use.

references

[1] greco mn, hawkins mj, powell et, almond hr jr, corcoran tw, de garavilla l, kauffman ja, recacha r, chattopadhyay d, andrade-gordon p, maryanoff be. nonpeptide inhibitors of cathepsin g: optimization of a novel beta-ketophosphonic acid lead by structure-based drug design. j am chem soc. 2002;124(15):3810-1.

Upstream product

• 429677-02-1 (2-{3-[(1-benzoyl-piperidin-4-yl)-methyl-carbamoyl]-naphthalen-2-yl}-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid diethyl ester 
• 429677-00-9 tert-butyl N-(1-benzoylpiperidin-4-yl)carbamate 
• 429677-01-0 (1-benzoyl-piperidin-4-yl)-methyl-carbamic acid tert-butyl ester 
• 429676-95-9 3-[2-(Diethoxy-phosphoryl)-2-naphthalen-1-yl-acetyl]-naphthalene-2-carboxylic acid 
• 716-39-2 2,3-Naphthalenedicarboxylic anhydride 
• 53575-08-9 diethyl 1-naphthylmethylphosphonate 
• 92032-54-7 4-methylamino-1-benzoylpiperidine 
• 98-88-4 benzoyl chloride 
• 73874-95-0 (piperidin-4-yl)carbamic acid tert-butyl ester 

Relevant articles and documents

Nonpeptide inhibitors of cathepsin G: Optimization of a novel β-ketophosphonic acid lead by structure-based drug design

The serine protease cathepsin G (EC 3.4.21.20; Cat G), which is stored in the azurophilic granules of neutrophils (polymorphonuclear leukocytes) and released on degranulation, has been implicated in various pathological conditions associated with inflammation. By employing high-throughput screening, we identified β-ketophosphonic acid 1 as a moderate inhibitor of Cat G (IC50 = 4.1 μM). We were fortunate to obtain a cocrystal of 1 with Cat G and solve its structure by X-ray crystallography (3.5 A). Structural details from the X-ray analysis of 1·Cat G served as a platform for optimization of this lead compound by structure-based drug design. With the aid of molecular modeling, substituents were attached to the 3-position of the 2-naphthyl ring of 1, which occupies the S1 pocket of Cat G, to provide an extension into the hydrophobic S3 region. Thus, we arrived at analogue 7 with an 80-fold potency improvement over 1 (IC50 = 53 nM). From these results, it is evident that the β-ketophosphonic acid unit can form the basis for a novel class of serine protease inhibitors. Copyright