690632-00-9

Basic information

• Product Name: 5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-SULFONYL CHLORIDE
• Synonyms: BUTTPARK 52\04-78;5-BROMO-2,3-DIHYDROBENZOFURAN-7-SULPHONYL CHLORIDE;5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-SULFONYL CHLORIDE;5-Bromo-2,3-dihydrobenzo[b]furane-7-sulfonylchloride;5-bromo-2,3-dihydrobenzo[b]furan-7-sulphonyl chloride;5-Bromo-2,3-dihydrobenzofuran-7-sulfonyl chloride;5-Bromo-2,3-dihydro-1-benzofuran-7-sulfonylchloride;5-Bromo-2,3-dihydro-1-benzofuran-7-sulphonyl chloride, 5-Bromo-7-(chlorosulphonyl)-2,3-dihydrobenzo[b]furan
• CAS NO: 690632-00-9
• Molecular Formula: C₈H₆BrClO₃S
• Molecular Weight: 297.55
• Mol File: 690632-00-9.mol
• Article Data: 3

Chemical Properties

• Melting Point: 121 °C
• Boiling Point: 402.7 °C at 760 mmHg
• Flash Point: 197.4 °C
• Appearance: /
• Density: 1.832 g/cm³
• Vapor Pressure: 2.5E-06mmHg at 25°C
• Refractive Index: 1.62
• CAS DataBase Reference: 5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-SULFONYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-SULFONYL CHLORIDE(690632-00-9)
• EPA Substance Registry System: 5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-SULFONYL CHLORIDE(690632-00-9)

Safety Data

• Hazard Codes: C
• Hazardous Substances Data: 690632-00-9(Hazardous Substances Data)

Usage

General Description

5-Bromo-2,3-dihydrobenzo[b]furan-7-sulfonyl chloride is a chemical compound with the molecular formula C8H6BrClO3S. It is a sulfonyl chloride derivative that contains a furan ring and a bromine atom. 5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-SULFONYL CHLORIDE is commonly used as an intermediate in organic synthesis for the production of various pharmaceuticals, agrochemicals, and material science products. It is a versatile building block and can be used in the preparation of a wide range of bioactive compounds and organic materials. Additionally, it is a highly reactive compound and should be handled with care in a laboratory setting.

InChI:InChI=1/C8H6BrClO3S/c9-6-3-5-1-2-13-8(5)7(4-6)14(10,11)12/h3-4H,1-2H2

Upstream product

• 496-16-2 2.3-dihydrobenzofuran 
• 66826-78-6 5-bromo-2,3-dihydrobenzo[b]furan 

Relevant articles and documents

Synthesis, evaluation and in silico studies of novel BRD4 bromodomain inhibitors bearing a benzo[d]isoxazol scaffold

Abstract: The BRD4 protein is associated with various diseases, which has been an attractive target for the treatment of cancer and inflammation. This paper is a follow-up to our previous studies, in which we report the structure-based design, synthesis, and evaluation of a new class of small-molecule BRD4 bromodomain inhibitors bearing a benzo[d]isoxazol scaffold. The SARs focused on exploration of the 2′ or 3′ position to afford novel inhibitors that may avoid potential metabolically unstable site. The most potent inhibitor 13f exhibited high binding affinity to BRD4(1) with a ΔTm value of 7.8 °C as evaluated in thermal shift assay (TSA). The potent activity was also demonstrated by a peptide competition assay with an IC50 value of 0.21?μM. The docking studies revealed the binding mode of the compounds with the active site of BRD4(1). In addition, in silico predictions indicated that these compounds possessed good drug-likeness and pharmacokinetic profile. Graphic abstract: This paper is a follow-up to our previous studies, in which we report the structure-based design,synthesis, and evaluation of a new class of small-molecule BRD4 bromodomain inhibitors bearing a benzo[d]isoxazolscaffold.[Figure not available: see fulltext.].

COMPOUNDS

A compound of formula (I), or a pharmaceutical salt thereof.