111962-90-4

Basic information

• Product Name: 6-Benzothiazolecarboxamide,2-amino-(9CI)
• Synonyms: 6-Benzothiazolecarboxamide,2-amino-(9CI);2-amino-1,3-benzothiazole-6-carboxamide(SALTDATA: FREE);2-AMinobenzothiazole-6-carboxaMide;2-aminobenzo[d]thiazole-6-carboxamide;2-Amino-6-benzothiazolecarboxamide;2-amino-1,3-benzothiazole-6-carboxamide
• CAS NO: 111962-90-4
• Molecular Formula: C8H7N3OS
• Molecular Weight: 193.22568
• Product Categories: BENZOTHIAZOLE
• Mol File: 111962-90-4.mol

Chemical Properties

• Boiling Point: 503.0±42.0 °C(Predicted)
• Appearance: /
• Density: 1.518±0.06 g/cm3(Predicted)
• PKA: 15.73±0.30(Predicted)
• CAS DataBase Reference: 6-Benzothiazolecarboxamide,2-amino-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Benzothiazolecarboxamide,2-amino-(9CI)(111962-90-4)
• EPA Substance Registry System: 6-Benzothiazolecarboxamide,2-amino-(9CI)(111962-90-4)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 111962-90-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Applications:
6-Benzothiazolecarboxamide,2-amino-(9CI) is utilized as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure and biological activity make it a valuable component in the development of new drugs, particularly those targeting specific therapeutic areas.
Used in Agrochemical Applications:
In the agrochemical industry, 6-Benzothiazolecarboxamide,2-amino-(9CI) serves as a building block for the creation of novel agrochemical products. Its properties contribute to the formulation of effective pesticides, herbicides, and other crop protection agents, enhancing agricultural productivity and crop protection.
Used in Dye Industry:
6-Benzothiazolecarboxamide,2-amino-(9CI) is employed as a dyestuff in the production of various types of dyes. 6-Benzothiazolecarboxamide,2-amino-(9CI)'s chemical structure allows for the creation of dyes with specific color characteristics and properties, catering to the needs of different industries such as textiles, plastics, and printing.
Used in Scientific Research:
6-Benzothiazolecarboxamide,2-amino-(9CI) is a vital component in various scientific research studies. Its role in research extends to the exploration of its chemical properties, potential biological activities, and applications in the synthesis of complex molecules, contributing to the advancement of knowledge in chemistry and related fields.

Upstream product

• 2835-68-9 4-aminobenzamide 
• 333-20-0 potassium thioacyanate 
• 72806-58-7 4-[(aminocarbonothioyl)amino]benzamide 

Downstream Products

• 101084-51-9 benzothiazole-6-carboxamide 

Relevant articles and documents

Probing the ATP-Binding Pocket of Protein Kinase DYRK1A with Benzothiazole Fragment Molecules

DYRK1A has emerged as a potential target for therapies of Alzheimer's disease using small molecules. On the basis of the observation of selective DYRK1A inhibition by firefly d-luciferin, we have explored static and dynamic structural properties of fragment sized variants of the benzothiazole scaffold with respect to DYRK1A using X-ray crystallography and NMR techniques. The compounds have excellent ligand efficiencies and show a remarkable diversity of binding modes in dynamic equilibrium. Binding geometries are determined in part by interactions often considered "weak", including "orthogonal multipolar" types represented by, for example, F-CO, sulfur-aromatic, and halogen-aromatic interactions, together with hydrogen bonds that are modulated by variation of electron withdrawing groups. These studies show how the benzothiazole scaffold is highly promising for the development of therapeutic DYRK1A inhibitors. In addition, the subtleties of the binding interactions, including dynamics, show how full structural studies are required to fully interpret the essential physical determinants of binding.