870680-37-8

Basic information

• Product Name: 1H-Pyrazole-1-carbothioamide, 5-(4-chlorophenyl)-4,5-dihydro-3-(2-thienyl)-
• CAS NO: 870680-37-8
• Molecular Formula: C14H12ClN3S2
• Molecular Weight: 321.854
• Mol File: 870680-37-8.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 1H-Pyrazole-1-carbothioamide, 5-(4-chlorophenyl)-4,5-dihydro-3-(2-thienyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole-1-carbothioamide, 5-(4-chlorophenyl)-4,5-dihydro-3-(2-thienyl)-(870680-37-8)
• EPA Substance Registry System: 1H-Pyrazole-1-carbothioamide, 5-(4-chlorophenyl)-4,5-dihydro-3-(2-thienyl)-(870680-37-8)

Safety Data

• Hazardous Substances Data: 870680-37-8(Hazardous Substances Data)

Upstream product

• 79442-37-8 3-(4-chlorophenyl)-1-(thiophen-2-yl)prop-2-en-1-one 
• 79-19-6 thiosemicarbazide 
• 6028-96-2 (E)‐3‐(4‐chlorophenyl)‐1‐(thiophen‐2‐yl)prop‐2‐en‐1‐one 
• 104-88-1 4-chlorobenzaldehyde 
• 88-15-3 2-Acetylthiophene 

Relevant articles and documents

Synthesis, molecular modeling studies, and selective inhibitory activity against monoamine oxidase of 1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)- pyrazole derivatives

A novel series of 1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazole derivatives have been synthesized and investigated for the ability to inhibit selectively the activity of the A and B isoforms of monoamine oxidase (MAO). All the synthesized compounds show high activity against both the MAO-A and the MAO-B isoforms with Ki values between 27 and 4 nM and between 50 and 1.5 nM, respectively, except for a few derivatives whose inhibitory activity against MAO-B was in the micromolar range. Knowing that stereochemistry may be an important modulator of biological activity, we performed the semipreparative Chromatographic enantioseparation of the most potent, selective, and chiral compounds. The separated enantiomers were then submitted to in vitro biological evaluation. The selectivity of the (-)-(S)-1 enantiomer against MAO-B increases twice and a half, while the selectivity of the (-)-(S)-4 enantiomer against MAO-A triples. Both the MAO-A and MAO-B isoforms respectively of the 1O5W and IGOS models deposited in the Protein Data Bank were considered in the computational study. The docking study was carried out using several computational approaches with the aim of proposing possible binding modes of the MAO enantioselective compounds 1 and 4.

Design, synthesis, preliminary pharmacological evaluation, and docking studies of pyrazoline derivatives

Ten derivatives of N1 substituted/unsubstituted 5-(4-chlorophenyl)-3-(2- thienyl) pyrazoline were synthesised from chalcone-like intermediate and substituted phenyl hydrazines, hydrazine hydrate, and semi/thiosemicarbazide. The chemical structure of compo