613-58-1

Basic information

• Product Name: N-(quinolin-2-ylcarbonyl)glycine
• Synonyms: [(quinolin-2-ylcarbonyl)amino]acetic acid
• CAS NO: 613-58-1
• Molecular Formula: C₁₂H₁₀N₂O₃
• Molecular Weight: 230.2194
• Mol File: 613-58-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 575.2°C at 760 mmHg
• Flash Point: 301.7°C
• Density: 1.368g/cm³
• Vapor Pressure: 4.53E-14mmHg at 25°C
• Refractive Index: 1.658
• CAS DataBase Reference: N-(quinolin-2-ylcarbonyl)glycine(CAS DataBase Reference)
• NIST Chemistry Reference: N-(quinolin-2-ylcarbonyl)glycine(613-58-1)
• EPA Substance Registry System: N-(quinolin-2-ylcarbonyl)glycine(613-58-1)

Safety Data

• Hazardous Substances Data: 613-58-1(Hazardous Substances Data)

Upstream product

• 93-10-7 quinoline-2-carboxylic acid 
• 74-88-4 methyl iodide 
• 75-03-6 ethyl iodide 
• 106-95-6 allyl bromide 
• 513-38-2 Isobutyl iodide 
• 5292-43-3 bromoacetic acid tert-butyl ester 
• 1458-98-6 2-methyl-3-bromo-1-propene 
• 100-39-0 benzyl bromide 
• 104-81-4 4-Methylbenzyl bromide 
• 459-46-1 4-Fluorobenzyl bromide 
• 589-15-1 1-bromomethyl-4-bromobenzene 
• 17201-43-3 4-cyanobenzyl bromide 
• 100-11-8 1-bromomethyl-4-nitro-benzene 
• 776-74-9 Bromodiphenylmethane 

Relevant articles and documents

Amide pyridine derivative and application thereof

The invention belongs to the technical field of medicine and relates to an amide pyridine derivative which is shown as a general formula I. The invention further relates to stereoisomer and pharmaceutically-acceptable salt, hydrate, solvate or prodrug of the amide pyridine derivative. The definitions of substituent groups of Ar, M, R and Py are given out in an instruction book. The invention further relates to a method for preparing the compound shown in the general formula I, pharmaceutical composition containing the compound and application of the compound and the pharmaceutical compositionin preparing medicine for treating and preventing superficial-layer fungal diseases and deep-layer fungal diseases.

Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors

Development of tool molecules that inhibit Jumonji demethylases allows for the investigation of cancer-associated transcription. While scaffolds such as 2,4-pyridinedicarboxylic acid (2,4-PDCA) are potent inhibitors, they exhibit limited selectivity. To discover new inhibitors for the KDM4 demethylases, enzymes overexpressed in several cancers, we docked a library of 600a€ˉ000 fragments into the high-resolution structure of KDM4A. Among the most interesting chemotypes were the 5-aminosalicylates, which docked in two distinct but overlapping orientations. Docking poses informed the design of covalently linked fragment compounds, which were further derivatized. This combined approach improved affinity by ～3 log-orders to yield compound 35 (Ki = 43 nM). Several hybrid inhibitors were selective for KDM4C over the related enzymes FIH, KDM2A, and KDM6B while lacking selectivity against the KDM3 and KDM5 subfamilies. Cocrystal structures corroborated the docking predictions. This study extends the use of structure-based docking from fragment discovery to fragment linking optimization, yielding novel KDM4 inhibitors.

Enantioselective solid-phase synthesis of α-amino acid derivatives

Wang-resin bound derivatives of glycine Schiff base esters are alkylated in the presence of quaternary ammonium salts derived from cinchonidine or cinchonine using phosphazene bases to give either enantiomer of the product α-amino acid derivatives in 51-89% ee.