58064-52-1

Basic information

• Product Name: 2-FORMYL-N-METHYL(HYDRAZINE-1-CARBOTHIOAMIDE)
• Synonyms: 2-FORMYL-N-METHYL(HYDRAZINE-1-CARBOTHIOAMIDE);2-formyl-N-methylhydrazinecarbothioamide
• CAS NO: 58064-52-1
• Molecular Formula: C₃H₇N₃OS
• Molecular Weight: 133.17
• Mol File: 58064-52-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 196.6°Cat760mmHg
• Flash Point: 72.7°C
• Appearance: /
• Density: 1.246g/cm³
• Vapor Pressure: 0.395mmHg at 25°C
• Refractive Index: 1.553
• CAS DataBase Reference: 2-FORMYL-N-METHYL(HYDRAZINE-1-CARBOTHIOAMIDE)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-FORMYL-N-METHYL(HYDRAZINE-1-CARBOTHIOAMIDE)(58064-52-1)
• EPA Substance Registry System: 2-FORMYL-N-METHYL(HYDRAZINE-1-CARBOTHIOAMIDE)(58064-52-1)

Safety Data

• Hazardous Substances Data: 58064-52-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C3H7N3OS/c1-4-3(8)6-5-2-7/h2H,1H3,(H,5,7)(H2,4,6,8)

Upstream product

• 556-61-6 methyl thioisocyanate 
• 624-84-0 formic acid hydrazide 
• 64-18-6 formic acid 
• 6610-29-3 4-methylthiosemicarbazide 

Downstream Products

• 24854-43-1 3-mercapto-4-methyl-4H-1,2,4-triazole 
• 24854-43-1 4-methyl-1,2,4-triazoline-5-thione 

Relevant articles and documents

Structure-activity relationships of triazole-benzodioxine inhibitors of cathepsin X

Cathepsin X is a cysteine carboxypeptidase that is involved in various physiological and pathological processes. In particular, highly elevated expression and activity of cathepsin X has been observed in cancers and neurodegenerative diseases. Previously, we identified compound Z9 (1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-isopropyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one) as a potent and specific reversible cathepsin X inhibitor. Here, we have explored the effects of chemical variations to Z9 of either benzodioxine or triazol moieties, and the importance of the central ketomethylenethio linker. The ketomethylenethio linker was crucial for cathepsin X inhibition, whereas changes of the triazole heterocycle did not alter the inhibitory potencies to a greater extent. Replacement of benzodioxine moiety with substituted benzenes reduced cathepsin X inhibition. Overall, several synthesized compounds showed similar or improved inhibitory potencies against cathepsin X compared to Z9, with IC50 values of 7.1 μM–13.6 μM. Additionally, 25 inhibited prostate cancer cell migration by 21%, which is under the control of cathepsin X.