769-20-0

Basic information

• Product Name: 6-AMINO-7-BROMO-BENZOTHIAZOLE
• Synonyms: 6-AMINO-7-BROMO-BENZOTHIAZOLE;7-broMo-1,3-benzothiazol-6-aMine;7-BroMobenzo[d]thiazol-6-aMine;Benzothiazole, 6-amino-7-bromo-
• CAS NO: 769-20-0
• Molecular Formula: C7H5BrN2S
• Molecular Weight: 229.097
• Mol File: 769-20-0.mol
• Article Data: 6

Chemical Properties

• Melting Point: 123 °C
• Boiling Point: 359.3 °C at 760 mmHg
• Flash Point: 171.1 °C
• Appearance: /
• Density: 1.836 g/cm³
• Vapor Pressure: 2.4E-05mmHg at 25°C
• Refractive Index: 1.783
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 1.39±0.30(Predicted)
• CAS DataBase Reference: 6-AMINO-7-BROMO-BENZOTHIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-AMINO-7-BROMO-BENZOTHIAZOLE(769-20-0)
• EPA Substance Registry System: 6-AMINO-7-BROMO-BENZOTHIAZOLE(769-20-0)

Safety Data

• Hazardous Substances Data: 769-20-0(Hazardous Substances Data)

Usage

Uses

6-Amino-7-Bromobenzothiazole is a useful research chemical.

InChI:InChI=1/C7H5BrN2S/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,9H2

Upstream product

• 533-30-2 1,3-benzothiazol-6-amine 
• 2942-06-5 6-nitrobenzo[d]thiazole 

Downstream Products

• 234-48-0 Thiazolochinolin 
• 767-70-4 7-bromo-1,3-benzothiazole 
• 882055-39-2 4-[7-(4-Fluoro-phenyl)-benzothiazol-2-yl]-thiophene-2-sulfonyl chloride 
• 1326714-48-0 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazole 
• 882055-21-2 2-Bromo-7-(4-fluoro-phenyl)-benzothiazole 

Relevant articles and documents

STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES

The application relates to compounds of Formula (I'): which modulate the activity of a kinase (e.g., STK4), a pharmaceutical composition comprising the compound, and a method of treating or preventing a disease or disorder associated with the modulation of a kinase, such as STK4.

7-AMINOFUROPYRIDINE DERIVATIVES

Compounds of Formula 1, as shown below and defined herein: pharmaceutically acceptable salts thereof, synthesis, intermediates, formulations, and methods of disease treatment therewith, including treatment of cancers, such as tumors driven at least in part by TAK1 or for which an appropriate TAK1 inhibitor is effective. This Abstract is not limiting of the invention.

Hydrogen and halogen bonding patterns and π-π aromatic interactions of some 6,7-disubstituted 1,3-benzothiazoles studied by X-ray diffraction and DFT calculations

The structures of five 6,7-disubstituted 1,3-benzothiazole (1,3-benzothiazole = bta) derivatives: 6-chloro-7-nitro-bta (3), 6-iodo-7-nitro-bta (5), 6-amino-7-iodo-bta (6), 6-acetylamino-7-iodo-bta (7) and 6-amino-7-bromo-bta (8) are reported and investigated by X-ray crystallography and DFT calculations. The crystal structures of 3 and 5-8 are characterized by: (i) relatively weak C{single bond}H?O/N/Br and N{single bond}H?O/N/S hydrogen bonds, (ii) C{single bond}Cl?O and C{single bond}I?O/N halogen bonds and Br?Br interactions and (iii) π-π interactions. DFT optimized structures of 3, 5, 6 and 8 are in a good agreement with the corresponding X-ray molecular data. Calculated structure of 7 deviates from the experimental geometry because of more favourable intermolecular hydrogen bonding in crystal phase compared to the weak intramolecular hydrogen bond in the gas phase. The molecular electrostatic potential maps were used for predicting possible hydrogen and halogen bonding sites in structures of 3, 5, 6 and 8, and AIM analysis in order to characterize the nature and strength of intermolecular interactions in all of the examined crystal structures. Experimental results agree well with AIM analysis suggesting that the detected hydrogen and halogen bonds are weak and mostly of electrostatic origin.