441715-01-1

Basic information

• Product Name: 2-BROMO-5-FLUOROBENZOTHIAZOLE
• Synonyms: 2-BROMO-5-FLUOROBENZOTHIAZOLE;2-broMo-5-fluoro-1,3-benzothiazole;2-broMo-5-fluorobenzo[d]thiazole
• CAS NO: 441715-01-1
• Molecular Formula: C₇H₃BrFNS
• Molecular Weight: 232.0728
• Mol File: 441715-01-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 298.3 °C at 760 mmHg
• Flash Point: 134.2 °C
• Appearance: /
• Density: 1.832 g/cm³
• Vapor Pressure: 0.00227mmHg at 25°C
• Refractive Index: 1.687
• CAS DataBase Reference: 2-BROMO-5-FLUOROBENZOTHIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-5-FLUOROBENZOTHIAZOLE(441715-01-1)
• EPA Substance Registry System: 2-BROMO-5-FLUOROBENZOTHIAZOLE(441715-01-1)

Safety Data

• Hazardous Substances Data: 441715-01-1(Hazardous Substances Data)

Usage

General Description

2-Bromo-5-fluorobenzothiazole is a chemical compound classified under the group of organobromides and organofluorides. Featuring in its structure a benzothiazole core substituted with bromine and fluorine atoms, it exhibits certain reactivity due to these substituents. This chemical is typically utilized in various fields but it is predominantly utilized in organic synthesis, and as a raw material or intermediate in the production of various pharmaceuticals and agrochemicals. 2-BROMO-5-FLUOROBENZOTHIAZOLE must be handled with care, as it may pose health risks if exposure occurs.

InChI:InChI=1/C7H3BrFNS/c8-7-10-5-3-4(9)1-2-6(5)11-7/h1-3H

Upstream product

• 20358-07-0 2-amino-5-fluorobenzothiazole 
• 110-46-3 isopentyl nitrite 
• 7787-70-4 copper(I) bromide 

Downstream Products

• 441715-05-5 [5-chloro-4-(5-fluoro-2-benzothiazolyl)amino-2-fluorophenyl]acetic acid ethyl ester 
• 441712-35-2 trans-4-[1-[[3-chloro-4-(5-fluoro-2-benzothiazolyl)aminophenyl]acetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid 
• 441712-36-3 trans-4-[1-[[5-chloro-2-fluoro-4-(5-fluoro-2-benzothiazolyl)aminophenyl]acetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid 
• 441715-04-4 C₂₈H₃₀ClF₂N₃O₄S 
• 441715-07-7 C₂₈H₂₉ClF₃N₃O₄S 
• 328087-20-3 2-(4-aminophenyl)-5-fluorobenzothiazole 

Relevant articles and documents

Identification of trans-4-[1-[[7-fluoro-2-(1-methyl-3-indolyl)-6- benzoxazolyl]acetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid as a potent, orally active VLA-4 antagonist

For the purpose of obtaining orally potent VLA-4 inhibitors, we have carried out structural modification of the (N′-phenylureido)phenyl group in compound 1, where the group was found to be attributed to poor pharmacokinetic profile in our previous research. Through modification, we have identified several compounds with both potent in vitro activity and improved oral exposure. In particular, compound 7e with 7-fluoro-2-(1-methyl-1H-indol-3- yl)-1,3-benzoxazolyl group as a novel replacement of the (N′-phenylureido) phenyl group significantly inhibited eosinophil infiltration into bronchoalveolar lavage fluid at 15 mg/kg in an Ascaris-antigen-induced murine bronchial inflammatory model, and its efficacy was comparable to that of the anti-mouse α4 antibody (R1-2).

VLA-4 INHIBITOR

A compound which selectively inhibits bonding between a ligand and α4β1 integrin (VLA-4); a process for producing the compound; and a medicine containing the compound. The compound is one represented by, e.g., the formula (I) or a salt thereof. Also provided is a preventive and/or therapeutic agent which contains the compound or salt as a major component and is effective against diseases attributable to cell adhesion, such as, e.g., inflammatory reaction, autoimmune disease, cancer metastasis, bronchial asthma, nasal obstruction, diabetes, arthritis, psoriasis, multiple sclerosis, inflammatory intestinal disease, and rejection reaction in transplantation. (In the formula, Y1 represents arylene, etc.; V1 represents aryl, etc.; and R11 to R14 each represents H, OH, halogeno, etc.)