3507-17-3

Basic information

• Product Name: 2-BROMO-6-CHLORO-BENZOTHIAZOLE
• Synonyms: 2-BROMO-6-CHLORO-BENZOTHIAZOLE;Benzothiazole, 2-bromo-6-chloro-;2-Bromo-6-chlorobenzo[d]thiazole;2-bromo-6-chloro-1,3-benzothiazole
• CAS NO: 3507-17-3
• Molecular Formula: C₇H₃BrClNS
• Molecular Weight: 248.53
• Mol File: 3507-17-3.mol
• Article Data: 6

Chemical Properties

• Melting Point: 99-100 °C
• Boiling Point: 330.53 °C at 760 mmHg
• Flash Point: 153.7 °C
• Appearance: /
• Density: 1.849 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.721
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -0.87±0.10(Predicted)
• CAS DataBase Reference: 2-BROMO-6-CHLORO-BENZOTHIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-6-CHLORO-BENZOTHIAZOLE(3507-17-3)
• EPA Substance Registry System: 2-BROMO-6-CHLORO-BENZOTHIAZOLE(3507-17-3)

Safety Data

• Hazardous Substances Data: 3507-17-3(Hazardous Substances Data)

Usage

General Description

2-Bromo-6-Chloro-Benzothiazole is a chemical compound with the formula C7H3BrClNS. It falls within the category of benzothiazoles, which are aromatic compounds containing a benzene fused to a thiazole ring. The compound is of interest due to its potential for use in various applications, including organic synthesis, pharmaceuticals and materials science. Its bromo and chloro substituents can serve as potential reactive sites for further modifications. Detailed information regarding its physical properties, toxicity, and reactivity can be obtained from its Material Safety Data Sheet or through authoritative chemical databases.

InChI:InChI=1/C7H3BrClNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H

Upstream product

• 95-24-9 6-chloro-2-aminobenzothiazole 
• 7787-70-4 copper(I) bromide 

Downstream Products

• 441712-32-9 trans-4-[1-[[3-chloro-4-(6-chloro-2-benzothiazolyl)aminophenyl]acetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid 
• 441714-94-9 C₂₈H₃₀Cl₂FN₃O₄S 
• 441714-93-8 [3-chloro-4-(6-chloro-2-benzothiazolyl)aminophenyl]acetic acid 
• 1440509-65-8 C₁₅H₈ClNS 
• 51618-29-2 6-chloro-1,3-benzothiazole-2(3H)-thione 

Relevant articles and documents

BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS

Disclosed are compounds of Formula (I) to (VIII): (I) (II) (III) (IV) (V) (VI) (VII) (VIII); or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate or prodrug thereof, wherein R3 is a bicyclic heteroaryl group substituted with zero to 3 R3a; and R1, R2, R3a, R4, and n are defined herein. Also disclosed are methods of using such compounds as PAR4 inhibitors, and pharmaceutical compositions comprising such compounds. These compounds are useful in inhibiting or preventing platelet aggregation, and are useful for the treatment of a thromboembolic disorder or the primary prophylaxis of a thromboembolic disorder.

Synthesis and structure-activity relationship of 4-(1,3-benzothiazol-2-yl)- thiophene-2-sulfonamides as cyclin-dependent kinase 5 (cdk5)/p25 inhibitors

4-(1,3-Benzothiazol-2-yl)thiophene-2-sulfonamide (4a) was found to be a moderately potent inhibitor of cyclin-dependent kinase 5 (cdk5) from a HTS screen. The synthesis and SAR around this hit is described. The X-ray coordinates of ligand 4a with cdk5 are also reported, showing an unusual binding mode to the hinge region via a water molecule.

VLA-4 INHIBITORS

The present invention relates to a compound represented by the following formula (I): (wherein, W represents WA-A1 -WB - (in which, WA is substituted or unsubstituted aryl, etc., A1 is -NR1-, single bond, -C(O)-, etc., and WB is substituted or unsubstituted arylene, etc.), R is single bond, -NH-, -OCH2-, alkenylene, etc., X is -C(O) -CH2-, etc., and M is, for example, the following formula: (in which, R11, R12 and R13 each independently represents hydrogen, hydroxyl, amino, halogen, etc., R14 is hydrogen or lower alkyl, Y represents -CH2-O-, etc., Z is substituted or unsubstituted arylene, etc., A2 is single bond, etc, and R10 is hydroxyl or lower alkoxy)), or salt thereof; and a medicament containing the same. This compound or salt thereof selectively inhibits binding of cell adhesion molecules to VAL-4 and exhibits high bioavailability so that it is useful as a preventive and/or remedy for inflammatory diseases, autoimmune diseases, metastasis, bronchial asthma, rhinostenosis, diabetes, and the like.