1599528-97-8

Basic information

• Product Name: 2-(4-(1H-pyrazol-1-yl)benzyl)malonic acid
• Synonyms: 2-(4-(1H-pyrazol-1-yl)benzyl)malonic acid
• CAS NO: 1599528-97-8
• Molecular Weight: 260.249
• Mol File: 1599528-97-8.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 2-(4-(1H-pyrazol-1-yl)benzyl)malonic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-(1H-pyrazol-1-yl)benzyl)malonic acid(1599528-97-8)
• EPA Substance Registry System: 2-(4-(1H-pyrazol-1-yl)benzyl)malonic acid(1599528-97-8)

Safety Data

• Hazardous Substances Data: 1599528-97-8(Hazardous Substances Data)

Usage

General Description

2-(4-(1H-pyrazol-1-yl)benzyl)malonic acid is a chemical compound with the molecular formula C16H14N2O4. It is a malonic acid derivative containing a 1H-pyrazolylbenzyl group. 2-(4-(1H-pyrazol-1-yl)benzyl)malonic acid has potential applications in medicinal chemistry and drug development due to its ability to act as a chelating agent and form stable complexes with metal ions. Additionally, it may have implications in the field of organic synthesis and material science. Further research is needed to fully understand the properties and potential uses of 2-(4-(1H-pyrazol-1-yl)benzyl)malonic acid.

Upstream product

• 2033-24-1 cycl-isopropylidene malonate 
• 1149-23-1 diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 
• 99662-34-7 4-(1H-pyrazol-1-yl)benzaldehyde 
• 1599528-96-7 5-(4-(1H-pyrazol-1-yl)benzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione 

Downstream Products

• 1599529-04-0 3-(4-(1H-pyrazol-1-yl)benzyl)-6-bromo-4-chloro-N-ethyl-N-methylquinolin-2-amine 
• 1599529-06-2 3-(4-(1H-pyrazol-1-yl)benzyl)-6-bromo-4-chloro-2-methoxyquinoline 
• 1599529-48-2 3-(4-(1H-pyrazol-1-yl)benzyl)-6-bromo-4-chloro-N,N-diethylquinolin-2-amine 
• 1599530-22-9 (3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(6-methoxypyridin-3-yl)(thiazol-5-yl)methanol 
• 1599530-52-5 (3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol 
• 1599530-69-4 (3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(4-fluorophenyl)(pyridin-3-yl)methanol 
• 1599530-70-7 (3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(pyridin-3-yl)(4-(trifluoromethyl)phenyl)methanol 
• 1599530-71-8 (3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(3,4-dimethoxyphenyl)(pyridin-3-yl)methanol 
• 1599530-73-0 (3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(4-fluorophenyl)(1-methyl-1H-imidazol-5-yl)methanol 
• 1599530-74-1 (3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(3,4-dichlorophenyl)(pyridin-3-yl)methanol 
• 1599530-77-4 (3-(4-(1H-pyrazol-1-yl)benzyl)-2,4-dichloroquinolin-6-yl)(4-chlorophenyl)(pyridin-3-yl)methanol 
• 1599530-92-3 3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-6-((4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)quinolin-2-ol 
• 1599531-00-6 1-(4-((3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)piperidin-1-yl)ethanone 
• 1599531-05-1 (3-(4-(1H-pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)bis(1-methyl-1H-1,2,3-triazol-5-yl)methanol 

Relevant articles and documents

Identification and structure activity relationships of quinoline tertiary alcohol modulators of RORγt

A high-throughput screen of the ligand binding domain of the nuclear receptor retinoic acid-related orphan receptor gamma t (RORγt) employing a thermal shift assay yielded a quinoline tertiary alcohol hit. Optimization of the 2-, 3- and 4-positions of the quinoline core using structure-activity relationships and structure-based drug design methods led to the discovery of a series of modulators with improved RORγt inhibitory potency and inverse agonism properties.

SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt

The present invention comprises compounds of Formula I. wherein: R1, R2, R3, R4, R5, R6, R7, R8, and R9 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of claim 1.

METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt

The present invention comprises compounds of Formula I. wherein: R1, R2, R3, R4, R5, R6, R7, R8, and R9 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of claim 1.