683215-73-8

Basic information

• Product Name: 2-(4-(trifluoromethyl)benzyl)malonic acid
• Synonyms: 2-(4-(trifluoromethyl)benzyl)malonic acid
• CAS NO: 683215-73-8
• Molecular Weight: 262.185
• Mol File: 683215-73-8.mol
• Article Data: 11

Chemical Properties

• CAS DataBase Reference: 2-(4-(trifluoromethyl)benzyl)malonic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-(trifluoromethyl)benzyl)malonic acid(683215-73-8)
• EPA Substance Registry System: 2-(4-(trifluoromethyl)benzyl)malonic acid(683215-73-8)

Safety Data

• Hazardous Substances Data: 683215-73-8(Hazardous Substances Data)

Upstream product

• 29805-55-8 diethyl (4-trifluoromethylbenzyl)malonate 
• 939-99-1 4-trifluoromethylbenzyl chloride 
• 455-19-6 4-Trifluoromethylbenzaldehyde 
• 2033-24-1 cycl-isopropylidene malonate 
• 1149-23-1 diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 
• 923977-13-3 2,2-dimethyl-5-(4-trifluoromethyl-benzyl)-[1,3]dioxane-4,6-dione 

Downstream Products

• 1599529-50-6 6-bromo-4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinoline 
• 1599529-51-7 (4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(2,6-dimethylpyridin-3-yl)methanol 
• 1599529-52-8 (4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(2,6-dimethylpyridin-3-yl)methanone 
• 1599529-55-1 (4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinoline-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)methanol 
• 1599529-56-2 (4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)methanone 
• 1599529-57-3 (4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinoline-6-yl)(1-methyl-1H-1,2,3-triazol-5-yl)methanol 
• 1599529-59-5 (4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinoline-6-yl)(2,4-dimethyloxazol-5-yl)methanol 
• 1599529-60-8 (4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(2,4-dimethyloxazol-5-yl)methanone 
• 1599529-74-4 (2,4-dichloro-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol 
• 1599529-83-5 tert-butyl 3-((4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(hydroxy)methyl)azetidine-1-carboxylate 
• 1599529-84-6 tert-butyl 3-(4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinoline-6-carbonyl)azetidine-1-carboxylate 
• 1599531-06-2 (4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol 
• 1599531-43-7 6-((2,6-dimethylpyridin-3-yl)(hydroxy)(1-methyl-1H-1,2,3-triazol-5-yl)methyl)-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-4-carbonitrile 
• 1599531-44-8 (4-chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(2,4-dimethylthiazol-5-yl)(1-methyl-1H-1,2,3-triazol-5-yl)methanol 

Relevant articles and documents

Synthesis and insecticidal activity of mesoionic pyrido[1,2-α]pyrimidinone derivatives containing a neonicotinoid moiety

Mesoionic pyrido[1,2-α]pyrimidinone derivatives containing a neonicotinoid moiety were designed, synthesized, and evaluated for their insecticidal activity. Some of the title compounds showed remarkable insecticidal properties against Aphis craccivora. Compound I13 exhibited satisfactory insecticidal activity against A. craccivora. Meanwhile, label-free proteomics analysis of compound I13 treatment identified a total of 821 proteins. Of these, 35 proteins were up-regulated, whereas 108 proteins were down-regulated. Differential expressions of these proteins reflected a change in cellular structure and metabolism.

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.