658703-33-4

Basic information

• Product Name: 1H-Pyrazole-4-carboxaldehyde, 5-ethoxy-3-methyl-1-phenyl-
• CAS NO: 658703-33-4
• Molecular Formula: C13H14N2O2
• Molecular Weight: 230.266
• Mol File: 658703-33-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1H-Pyrazole-4-carboxaldehyde, 5-ethoxy-3-methyl-1-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole-4-carboxaldehyde, 5-ethoxy-3-methyl-1-phenyl-(658703-33-4)
• EPA Substance Registry System: 1H-Pyrazole-4-carboxaldehyde, 5-ethoxy-3-methyl-1-phenyl-(658703-33-4)

Safety Data

• Hazardous Substances Data: 658703-33-4(Hazardous Substances Data)

Upstream product

• 947-95-5 5-chloro-4-formyl-3-methyl-1-phenyl-1H-pyrazole 
• 64-17-5 ethanol 
• 141-52-6 sodium ethanolate 
• 100-63-0 phenylhydrazine 
• 89-25-8 edaravone 

Relevant articles and documents

Design and synthesis of pyrazolone-based compounds as potent blockers of SARS-CoV-2 viral entry into the host cells

SARS-CoV-2 are enveloped positive-stranded RNA viruses that replicate in the cytoplasm. It relies on the fusion of their envelope with the host cell membrane to deliver their nucleocapsid into the host cell. The spike glycoprotein (S) mediates virus entry into cells via the human Angiotensin-converting enzyme 2 (hACE2) protein located on many cell types and tissues' outer surface. This study, therefore, aimed to design and synthesize novel pyrazolone-based compounds as potential inhibitors that would interrupt the interaction between the viral spike protein and the host cell receptor to prevent SARS-CoV 2 entrance into the cell. A series of pyrazolone compounds as potential SARS-CoV-2 inhibitors were designed and synthesized. Employing computational techniques, the inhibitory potentials of the designed compounds against both spike protein and hACE2 were evaluated. Results of the binding free energy from the in-silico analysis, showed that three compounds (7i, 7k and 8f) and six compounds (7b, 7h, 7k, 8d, 8g, and 8h) showed higher and better binding high affinity to SARS-CoV-2 Sgp and hACE-2, respectively compared to the standard drugs cefoperazone (CFZ) and MLN-4760. Furthermore, the outcome of the structural analysis of the two proteins upon binding of the inhibitors showed that the two proteins (SARS-CoV-2 Sgp and hACE-2) were stable, and the structural integrity of the proteins was not compromised. This study suggests pyrazolone-based compounds might be potent blockers of the viral entry into the host cells.

Quinazolin-4-one derivatives

A medicament having an inhibitory activity against hematopoietic prostaglandin D2 synthase, which comprises as an active ingredient a compound represented by the following general formula (I) or a salt thereof: wherein X represents a group represented by the formula —N═C(R5)— or the formula —NH—CH(R5)—, R1, R2, R3, and R4 represent a hydrogen atom, a halogen atom, a C1 to C6 alkyl group, or a hydroxy group, R5 represents a C1 to C6 alkyl group or a C6 to C10 aryl group, and R represents an amino group.