18800-29-8

Usage

Uses

Used in Organic Synthesis:
1-BROMO-2-(3'-BROMOPHENOXY)ETHANE is used as a starting material for introducing the bromophenoxy group into other molecules, facilitating the creation of a wide range of chemical compounds.
Used in Pharmaceutical Manufacturing:
In the pharmaceutical industry, 1-BROMO-2-(3'-BROMOPHENOXY)ETHANE is used as a key intermediate in the synthesis of various drugs, contributing to the development of new medications.
Used in Agrochemical Production:
1-BROMO-2-(3'-BROMOPHENOXY)ETHANE is also utilized in the production of agrochemicals, where it serves as a building block for the creation of pesticides and other agricultural chemicals.
Used in Specialty Chemicals:
1-BROMO-2-(3'-BROMOPHENOXY)ETHANE finds application in the manufacturing of specialty chemicals, which are used in specific industries for their unique properties and functions.
It is crucial to handle 1-BROMO-2-(3'-BROMOPHENOXY)ETHANE with care due to its hazardous nature to health and the environment. Adequate safety measures are essential when working with this chemical to ensure the well-being of individuals and the preservation of the environment.

Upstream product

• 591-20-8 3-Bromophenol 
• 106-93-4 ethylene dibromide 

Downstream Products

• 102313-06-4 N-[2-(3-bromo-phenoxy)-ethyl]-aniline 
• 100607-15-6 [2-(3-bromo-phenoxy)-ethyl]-methyl-amine 
• 370-39-8 [2-(3-bromo-phenoxy)-ethyl]-trimethyl-ammonium; bromide 
• 19160-73-7 N-<2-(3-Bromphenoxy)-ethyl>-cyclopropylamin 
• 77901-22-5 4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine 

Relevant academic research and scientific papers

Amino Acid Hot Spots of Halogen Bonding: A Combined Theoretical and Experimental Case Study of the 5-HT7 Receptor

A computational approach combining a structure-activity relationship library of halogenated and the corresponding unsubstituted ligands (called XSAR) with QM-based molecular docking and binding free energy calculations was used to search for amino acids frequently targeted by halogen bonding (hot spots) in a 5-HT7R as a case study. The procedure identified two sets of hot spots, extracellular (D2.65, T2.64, and E7.35) and transmembrane (C3.36, T5.39, and S5.42), which were further verified by a synthesized library of halogenated arylsulfonamide derivatives of (aryloxy)ethylpiperidines. It was found that a halogen bond formed between T5.39 and a bromine atom at 3-position of the aryloxy fragment caused the most remarkable, 35-fold increase in binding affinity for 5-HT7R when compared to the nonhalogenated analog. The proposed paradigm of halogen bonding hot spots was additionally verified on D4 dopamine receptor showing that it can be used in rational drug design/optimization for any protein target.

Guanylthiourea derivatives as potential antimalarial agents: Synthesis, in?vivo and molecular modelling studies

Guanylthiourea (GTU) derivatives were identified as possible anti-malarial agents, recently, using in?vitro studies on Plasmodium falciparum. This article gives an account of the in?vivo anti-malarial activity of GTU derivatives against experimental rodent malaria. A total of 20 synthesized GTU derivatives were evaluated for in?vivo antimalarial activity, out of which six showed encouraging results; one compound appeared to have curative potential. Molecular docking and molecular dynamics analysis were carried out to understand the molecular level interactions.

New serotonin 5-HT1A receptor agonists endowed with antinociceptive activity in vivo

We report the synthesis of new compounds 4-35 based on two different openings (A and B) of the chromane ring present in the previously identified 5-HT1A receptor (5-HT1AR) ligand 3. The synthesized compounds were assessed for binding affinity, selectivity, and functional activity at the 5-HT1AR. Selected candidates resulting from B opening were also evaluated for their potential antinociceptive effect in vivo and pharmacokinetic properties in vitro. Analogue 19 [2-(4-{[2-(2-ethoxyphenoxy) ethyl]amino}butyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione] has been characterized as a high-affinity and potent 5-HT1AR agonist (K i = 2.3 nM; EC50 = 19 nM). Pharmacokinetic studies indicated that compound 19 displays a good metabolic stability in human liver microsomes (t1/2 ～ 3 h and CLint = 3.5 mL/min/kg, at 5 μM), and a low level of protein binding (25%, at 5 μM). Interestingly, 19 (3 mg/kg, ip, and 30 mg/kg, po) caused significant attenuation of formalin-induced behavior in early and late phases of the mouse intradermal formalin test of pain, and this in vivo effect was reversed by the selective 5-HT1AR antagonist WAY-100635. Thus, the new 5-HT1AR agonist identified in this work, 19, exhibits oral analgesic activity, and the results herein represent a step toward identifying new therapeutics for the control of pain.