791806-33-2

Basic information

• Product Name: 4-AMINO-5-(1H-BENZIMIDAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
• Synonyms: 4-AMINO-5-(1H-BENZIMIDAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL;4-amino-5-(1-benzimidazolylmethyl)-2H-1,2,4-triazole-3-thione;4-amino-5-(benzimidazol-1-ylmethyl)-2H-1,2,4-triazole-3-thione;AO-365/43113423;STOCK5S-57956;ZINC00383152;5-((1H-BENZO[D]IMIDAZOL-1-YL)METHYL)-4-AMINO-4H-1,2,4-TRIAZOLE-3-THIOL
• CAS NO: 791806-33-2
• Molecular Formula: C10H10N6S
• Molecular Weight: 246.2916
• Mol File: 791806-33-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 437.8±55.0 °C(Predicted)
• Appearance: /
• Density: 1 +-.0.1 g/cm3(Predicted)
• PKA: 8.67±0.20(Predicted)
• CAS DataBase Reference: 4-AMINO-5-(1H-BENZIMIDAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-AMINO-5-(1H-BENZIMIDAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL(791806-33-2)
• EPA Substance Registry System: 4-AMINO-5-(1H-BENZIMIDAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL(791806-33-2)

Safety Data

• Hazardous Substances Data: 791806-33-2(Hazardous Substances Data)

Upstream product

• 51-17-2 benzoimidazole 
• 75-15-0 carbon disulfide 
• 97420-39-8 2-(1H-benzo[d]imidazol-1-yl)acetohydrazide 
• 55175-50-3 1-(ethoxycarbonylmethyl)benzimidazole 
• 19809-30-4 methyl ester of benzimidazolyl-1-acetic acid 

Downstream Products

• 876712-40-2 3-(1-benzimidazolylmethyl)-6-p-tolyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 

Relevant articles and documents

Identification of a novel SHP-2 protein tyrosine phosphatase inhibitor

The Src homology 2 (SH2) domain-containing phosphatase 2 (SHP-2) is a nonreceptor protein tyrosine phosphatase (PTP) involved in extracellular- regulated kinase (ERK) activation. Recent studies have shown that gain-of-function mutations in SHP-2 are associated with several diseases, including LEOPARD syndrome, Noonan syndrome, and juvenile myelomonocytic leukemia. In this study, we identified the novel SHP-2 inhibitor 3-(1-benzimidazolylmethyl)-6-p-tolyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (MLS-001). SHP-2 activity was inhibited by MLS-001, whereas other types of PTPs, namely ACP1, CDC25A, DUSP3, DUSP14, DUSP18, DUSP22, DUSP23, DUSP26, and SSH3, were not. Furthermore, TCPTP and SHP-1 that are closely related to SHP-2 were not inhibited by the inhibitor. Kinetic studies with MLS-001 and SHP-2 revealed a competitive inhibition. The SHP-2 expressing cells treated with MLS-001 demonstrated reduced SHP-2 phosphatase activity, thereby suggesting that MLS-001 effectively passes through cell membranes. In addition, MLS-001 reduced SHP-2-mediated phosphorylation in the activation loop of ERK in cells. Therefore, MLS-001 could be a lead compound for developing a potent SHP-2 inhibitor.