55580-08-0

Basic information

• Product Name: 7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE
• Synonyms: 7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE;7-BROMO-3,4-DIHYDROBENZO[B]OXEPIN-5(2H)-ONE;7-BROMO-3,4-DIHYDRO-1-BENZOXEPIN-5(2H)-ONE;7-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)
• CAS NO: 55580-08-0
• Molecular Formula: C₁₀H₉BrO₂
• Molecular Weight: 241.08
• Mol File: 55580-08-0.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 349.005 °C at 760 mmHg
• Flash Point: 164.872 °C
• Appearance: /
• Density: 1.528 g/cm³
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE(55580-08-0)
• EPA Substance Registry System: 7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE(55580-08-0)

Safety Data

• Statements: 52
• RIDADR: UN 3082 9 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 55580-08-0(Hazardous Substances Data)

Usage

General Description

7-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one is a chemical compound with the molecular formula C8H5BrO2. It is a synthetic building block used in organic synthesis, specifically as a precursor in the preparation of pharmaceuticals and agrochemicals. It is also known for its potential biological activities, including antifungal and antiviral properties. The compound's unique structure, containing a brominated oxepin ring, makes it a valuable intermediate in the production of diverse chemical compounds with potential medicinal applications. Furthermore, its bromine substituent allows for further functionalization and modification, making it a useful tool in organic chemistry research and drug discovery.

Upstream product

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• 2969-81-5 Ethyl 4-bromobutyrate 

Downstream Products

• 229006-94-4 7-(4-methylphenyl)-2,3,4,5-tetrahydro-1-benzooxepin-5-one 
• 229006-96-6 7-(4-methylphenyl)-2,3-dihydro-1-benzooxepine-4-carboxylic acid 
• 93591-69-6 7-bromo-2,3,4,5-tetrahydro-1-benzoxepine 
• 1415003-58-5 methyl 7-(4-(4-methoxyphenyl)-1H-imidazol-1-yl)-5-methyl-2,3-dihydrobenzo[b]oxepine-4-carboxylate 
• 229005-63-4 N-(4-((N-(4,4-ethylenedioxycyclohexyl)-N-methyl)aminomethyl)phenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide 
• 229005-64-5 N-[4-[N-(4-oxycyclohexyl)-N-methylaminomethyl]phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide 
• 229004-34-6 N-(4-(2-piperidinoethyl)phenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide 
• 229005-55-4 N-(4-((N-tetrahydrothiopyran-4-yl-N-methyl)amino-methyl)phenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide 
• 229004-30-2 7-(4-methylphenyl)-N-(4-(piperidinomethyl)phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide 
• 229005-67-8 N-(4-((N-3-hydroxypropyl-N-methyl)aminomethyl)phenyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide 

Relevant articles and documents

Structure-based design of tricyclic NF-κB inducing kinase (NIK) inhibitors that have high selectivity over phosphoinositide-3-kinase (PI3K)

We report here structure-guided optimization of a novel series of NF-κB inducing kinase (NIK) inhibitors. Starting from a modestly potent, low molecular weight lead, activity was improved by designing a type 11/2 binding mode that accessed a back pocket past the methionine-471 gatekeeper. Divergent binding modes in NIK and PI3K were exploited to dampen PI3K inhibition while maintaining NIK inhibition within these series. Potent compounds were discovered that selectively inhibit the nuclear translocation of NF-κB2 (p52/REL-B) but not canonical NF-κB1 (REL-A/p50).

TRICYCLIC COMPOUNDS AS INHIBITORS FOR THE PRODUCTION OF BETA-AMYLOID

Compounds of formula (I), including pharmaceutically acceptable salts thereof, are set forth herein: formula (I), wherein X is selected from the group of CH2, O, and NR2; m = 0 or 1; R1 at each instance is selected from th

BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE

Benzopyran and benzoxepin compounds of Formulas I and II, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formulas I and II for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.