205246-67-9

Basic information

• Product Name: 5-isothiocyanato-1-methyl-3-phenylpyrazole
• Synonyms: 5-isothiocyanato-1-methyl-3-phenylpyrazole
• CAS NO: 205246-67-9
• Molecular Weight: 215.279
• Mol File: 205246-67-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 5-isothiocyanato-1-methyl-3-phenylpyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 5-isothiocyanato-1-methyl-3-phenylpyrazole(205246-67-9)
• EPA Substance Registry System: 5-isothiocyanato-1-methyl-3-phenylpyrazole(205246-67-9)

Safety Data

• Hazardous Substances Data: 205246-67-9(Hazardous Substances Data)

Upstream product

• 6160-65-2 1,1'-Thiocarbonyldiimidazole 
• 10199-50-5 1-methyl-3-phenyl-1H-pyrazol-5-amine 
• 463-71-8 thiophosgene 

Downstream Products

• 205246-70-4 2-methyl-4-(1-methyl-3-phenylpyrazol-5-yl)thiosemicarbazide 

Relevant articles and documents

Synthesis and biological evaluation of innovative thiourea derivatives as PHGDH inhibitors

In order to discover novel compounds with inhibitory activity against 3-phosphoglycerate dehydrogenase (PHGDH), a series of thiourea derivatives were designed and synthesized based on the structural modification of compound 5d. Compound 5d emerged from the visual database of ChemDiv of 200,000 small molecules by docking score ranking. Inhibition experiments on PHGDH activity of newly synthesized compounds were performed in vitro. Compounds with more than 30percent inhibitory rate at 25?μM on PHGDH were screened for IC50 measurement. Anti-proliferative activity of 4a, 5a, 6e, 6n against A2780, MDA-MB-468, MDA-MB-231 and HEK293T in vitro was evaluated. The results showed that the compound 4a displayed the best inhibitory activity on PHGDH among the newly synthesized compounds, and the compounds 4a, 5a, 6n had a better proliferation inhibition effect on human A2780 cell line than NCT-503 reported previously. In addition, 2D interaction diagrams revealed potential action modes of active compounds with PHGDH.