99985-12-3

Basic information

• Product Name: (E)-4-(2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl)-5-thioxodihydrothiophen-3(2H)-one
• Synonyms: (E)-4-(2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl)-5-thioxodihydrothiophen-3(2H)-one
• CAS NO: 99985-12-3
• Molecular Weight: 282.344
• Mol File: 99985-12-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (E)-4-(2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl)-5-thioxodihydrothiophen-3(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-4-(2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl)-5-thioxodihydrothiophen-3(2H)-one(99985-12-3)
• EPA Substance Registry System: (E)-4-(2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl)-5-thioxodihydrothiophen-3(2H)-one(99985-12-3)

Safety Data

• Hazardous Substances Data: 99985-12-3(Hazardous Substances Data)

Upstream product

• 1438-16-0 3-aminorhodanine 
• 121-33-5 vanillin 

Relevant articles and documents

The green synthesis and molecular docking of novel N-substituted rhodanines as effective inhibitors for carbonic anhydrase and acetylcholinesterase enzymes

Recently, inhibition effects of enzymes such as acetylcholinesterase (AChE) and carbonic anhydrase (CA) has appeared as a promising approach for pharmacological intervention in a variety of disorders such as epilepsy, Alzheimer's disease and obesity. For this purpose, novel N-substituted rhodanine derivatives (RhAs) were synthesized by a green synthetic approach over one-pot reaction. Following synthesis the novel compounds, RhAs derivatives were tested against AChE and cytosolic carbonic anhydrase I, and II (hCAs I, and II) isoforms. As a result of this study, inhibition constant (Ki) were found in the range of 66.35 ± 8.35 to 141.92 ± 12.63 nM for AChE, 43.55 ± 14.20 to 89.44 ± 24.77 nM for hCA I, and 16.97 ± 1.42 to 64.57 ± 13.27 nM for hCA II, respectively. Binding energies were calculated with docking studies as ?5.969, ?5.981, and ?9.121 kcal/mol for hCA I, hCA II, and AChE, respectively.