138712-70-6

Basic information

• Product Name: 1-([(([(METHYLAMINO)CARBONYL]AMINO)CARBOTHIOYL)AMINO]CARBONYL)BENZENE
• Synonyms: 1-([(([(METHYLAMINO)CARBONYL]AMINO)CARBOTHIOYL)AMINO]CARBONYL)BENZENE
• CAS NO: 138712-70-6
• Molecular Formula: C₁₀H₁₁N₃O₂S
• Molecular Weight: 237.28
• Mol File: 138712-70-6.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-([(([(METHYLAMINO)CARBONYL]AMINO)CARBOTHIOYL)AMINO]CARBONYL)BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-([(([(METHYLAMINO)CARBONYL]AMINO)CARBOTHIOYL)AMINO]CARBONYL)BENZENE(138712-70-6)
• EPA Substance Registry System: 1-([(([(METHYLAMINO)CARBONYL]AMINO)CARBOTHIOYL)AMINO]CARBONYL)BENZENE(138712-70-6)

Safety Data

• Hazardous Substances Data: 138712-70-6(Hazardous Substances Data)

Upstream product

• 98-88-4 benzoyl chloride 
• 532-55-8 Benzoyl isothiocyanate 
• 598-50-5 N-Methylurea 

Downstream Products

• 138712-77-3 N-(2-Methyl-3-oxo-2,3-dihydro-[1,2,4]thiadiazol-5-yl)-benzamide 

Relevant articles and documents

Non-ATP competitive glycogen synthase kinase 3β (GSK-3β) inhibitors: Study of structural requirements for thiadiazolidinone derivatives

The 2,4-disubstituted thiadiazolidinones (TDZD) were described as the first non-ATP competitive GSK-3β inhibitors. New modifications in this heterocyclic ring are here reported to study the influence on the biological activity. The basic skeleton of 1,2,4-thiadiazole and also one of the carbonyl groups are kept, while different modifications are introduced in positions 3 and 5, respectively. The GSK-3β activity of the new thiadiazole derivatives here synthesized showed IC50 values for some of the compounds in the micromolar range. Additionally, ATP competition studies have been carried out, showing that as well as the first generation of TDZD, these new compounds act in a non-competitive manner. With this study, additional requirements for the biological activity of the TDZD family have been delineated.

The tautomerism of 5-amino-3-oxo-1,2,4-thiadiazole: An experimental and theoretical study

The 1,2,4-thiadiazole system was the subject of our research as a consequence of the pharmacological activity of some derivatives as GSK3 inhibitors. Therefore, in order to explore the active form responsible for receptor interaction, a systematic study of the tautomerism in the 5-amino-3-oxo-1,2,4-thiadiazole system was performed by using experimental and theoretical methods. Thus, the relative stability of the possible tautomers was studied in the gas phase by density functional theory and local density functional methods. The theoretical study in solution was carried out by using several continuum solvation models. Finally, experimental studies were carried out to unambiguously establish the tautomeric form. Wiley-VCH Verlag GmbH & Co. KGaA, 2007.