100791-00-2

Basic information

• Product Name: 3-Pyridinecarbonyl chloride, 4-chloro- (9CI)
• Synonyms: 3-Pyridinecarbonyl chloride, 4-chloro- (9CI);4-Chloropyridine-3-carbonyl chloride;4-Chloropyridine-3-carbonyl chloride, 4-Chloro-3-(chlorocarbonyl)pyridine
• CAS NO: 100791-00-2
• Molecular Formula: C₆H₃Cl₂NO
• Molecular Weight: 176.00012
• Product Categories: ACIDHALIDE
• Mol File: 100791-00-2.mol
• Article Data: 15

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-Pyridinecarbonyl chloride, 4-chloro- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Pyridinecarbonyl chloride, 4-chloro- (9CI)(100791-00-2)
• EPA Substance Registry System: 3-Pyridinecarbonyl chloride, 4-chloro- (9CI)(100791-00-2)

Safety Data

• Hazardous Substances Data: 100791-00-2(Hazardous Substances Data)

Upstream product

• 10177-29-4 4-chloronicotinic acid 

Downstream Products

• 1076689-97-8 4-chloro-4'-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-nicotinanilide 
• 7469-85-4 9-(3-pyridinecarbonyl)carbazole 
• 929569-05-1 1-(4-methoxybenzyl)pyrazolo[4',3':5,6]pyrano[3,2-c]pyridin-4(1H)-one 
• 929568-99-0 2-(4-methoxybenzyl)pyrazolo[4',3':5,6]pyrano[3,2-c]pyridin-4(2H)-one 

Relevant articles and documents

Discovery of pyrazolo[1,5-a]pyrimidine-3-carbonitrile derivatives as a new class of histone lysine demethylase 4D (KDM4D) inhibitors

Herein we report the discovery of a series of new small molecule inhibitors of histone lysine demethylase 4D (KDM4D). Molecular docking was first performed to screen for new KDM4D inhibitors from various chemical databases. Two hit compounds were retrieved. Further structural optimization and structure-activity relationship (SAR) analysis were carried out to the more selective one, compound 2, which led to the discovery of several new KDM4D inhibitors. Among them, compound 10r is the most potent one with an IC50 value of 0.41?±?0.03?μM against KDM4D. Overall, compound 10r could be taken as a good lead compound for further studies.

Structure-Activity Studies Reveal Scope for Optimisation of Ebselen-Type Inhibition of SARS-CoV-2 Main Protease

The reactive organoselenium compound ebselen is being investigated for treatment of coronavirus disease 2019 (COVID-19) and other diseases. We report structure-activity studies on sulfur analogues of ebselen with the Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro), employing turnover and protein-observed mass spectrometry-based assays. The results reveal scope for optimisation of ebselen/ebselen derivative- mediated inhibition of Mpro, particularly with respect to improved selectivity.

Benzoisothiazolone organo/copper-cocatalyzed redox dehydrative construction of amides and peptides from carboxylic acids using (EtO)3P as the reductant and O2 in air as the terminal oxidant

Carboxylic acids and amine/amino acid reactants can be converted to amides and peptides at neutral pH within 5-36 h at 50 °C using catalytic quantities of a redox-active benzoisothiazolone and a copper complex. These catalytic "oxidation-reduction condensation" reactions are carried out open to dry air using O2 as the terminal oxidant and a slight excess of triethyl phosphite as the reductant. Triethyl phosphate is the easily removed byproduct. These simple-to-run catalytic reactions provide practical and economical procedures for the acylative construction of C-N bonds.