1295301-38-0

Basic information

• Product Name: 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione
• Synonyms: 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione
• CAS NO: 1295301-38-0
• Molecular Weight: 330.192
• Mol File: 1295301-38-0.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione(1295301-38-0)
• EPA Substance Registry System: 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione(1295301-38-0)

Safety Data

• Hazardous Substances Data: 1295301-38-0(Hazardous Substances Data)

Usage

Description

1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione is a complex organic compound characterized by the presence of a boron-containing ring and an imidazolidine-2,4-dione group. Its unique structure suggests potential applications in various fields, including organic chemistry, pharmaceuticals, and materials science, due to the diverse reactivity and bond-forming capabilities of its constituent groups.

Uses

Used in Organic Chemistry:
1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione is used as a synthetic intermediate for the development of new organic compounds. Its boron-containing ring and imidazolidine-2,4-dione group provide opportunities for further chemical reactions and modifications, making it a valuable building block in the synthesis of complex molecules.
Used in Pharmaceutical Industry:
1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione is used as a potential pharmaceutical candidate due to its unique structure and reactivity. 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione may be investigated for its potential therapeutic properties, such as its ability to interact with biological targets or modulate specific signaling pathways.
Used in Materials Science:
1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione is used as a component in the development of novel materials with specific properties. 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione's structural features may contribute to the creation of materials with enhanced performance characteristics, such as improved mechanical strength, thermal stability, or chemical resistance.
Further research and investigation into the properties and potential uses of 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-methylimidazolidine-2,4-dione are necessary to fully understand its significance and explore its applications in various industries.

Upstream product

• 1228660-41-0 1-(4-bromobenzyl)-3-methylimidazolidine-2,4-dione 
• 73183-34-3 bis(pinacol)diborane 
• 1122-91-4 4-bromo-benzaldehyde 
• 201987-81-7 1-(4-bromobenzyl)imidazolidine-2,4-dione 
• 850859-09-5 2-(4-bromobenzylamino)acetamide 
• 6843-45-4 1-methylhydantoin 
• 138500-85-3 4-bromomethylphenylboronic acid pinacol ester 
• 1727-09-9 2-(4-bromobenzylamino)acetic acid 
• 1156379-10-0 2-(4-bromo-benzylamino)-N-cyclopropyl-acetamide 

Downstream Products

• 1295301-37-9 1-(4-(2-isopropyl-1-oxoisoindolin-5-yl)benzyl)-3-methylimidazolidine-2,4-dione 
• 1408245-05-5 1-{4-[1-(cyclopropylmethyl)-4-(trifluoromethyl)-1H-benzotriazol-5-yl]benzyl}-3-methylimidazolidine-2,4-dione 
• 1228659-50-4 1-(4-(5-fluoro-6-(piperidin-1-ylmethyl)pyridin-2-yl)benzyl)-3-methylimidazolidine-2,4-dione 
• 1338056-01-1 3-methyl-1-(4-(6-(piperidin-1-ylmethyl)pyridin-2-yl)benzyl)imidazolidine-2,4-dione 

Relevant articles and documents

Structure-kinetic relationship studies of cannabinoid CB2 receptor agonists reveal substituent-specific lipophilic effects on residence time

A decade ago, the drug-target residence time model has been (re-)introduced, which describes the importance of binding kinetics of ligands on their protein targets. Since then, it has been applied successfully for multiple protein targets, including GPCRs, for the development of lead compounds with slow dissociation kinetics (i.e. long target residence time) to increase in vivo efficacy or with short residence time to prevent on-target associated side effects. To date, this model has not been applied in the design and pharmacological evaluation of novel selective ligands for the cannabinoid CB2 receptor (CB2R), a GPCR with therapeutic potential in the treatment of tissue injury and inflammatory diseases. Here, we have investigated the relationships between physicochemical properties, binding kinetics and functional activity in two different signal transduction pathways, G protein activation and β-arrestin recruitment. We synthesized 24 analogues of 3-cyclopropyl-1-(4-(6-((1,1-dioxidothiomorpholino)methyl)-5-fluoropyridin-2-yl)benzyl)imidazoleidine-2,4-dione (LEI101), our previously reported in vivo active and CB2R-selective agonist, with varying basicity and lipophilicity. We identified a positive correlation between target residence time and functional potency due to an increase in lipophilicity on the alkyl substituents, which was not the case for the amine substituents. Basicity of the agonists did not show a relationship with affinity, residence time or functional activity. Our findings provide important insights about the effects of physicochemical properties of the specific substituents of this scaffold on the binding kinetics of agonists and their CB2R pharmacology. This work therefore shows how CB2R agonists can be designed to have optimal kinetic profiles, which could aid the lead optimization process in drug discovery for the study or treatment of inflammatory diseases.

HETEROCYCLIC DERIVATIVES

The present invention relates to a heterocyclic derivative of formula (I) wherein the variables are as defined in the specification, or to a pharmaceutically acceptable salt or solvate thereof. The present invention further relates to pharmaceutical compositions comprising said heterocyclic derivatives and to their use in therapy, for instance in the treatment or prevention of disorders mediated by glutamate dysfunction, such as schizophrenia and generalised anxiety disorder.