94749-73-2

Basic information

• Product Name: 1-[4-[(6-Bromohexyl)oxy]butyl]benzene
• Synonyms: 1-[4-[(6-Bromohexyl)oxy]butyl]benzene;4-[(6-BROMOHEXYL)OXY]BUTYL]BENZENESALMETEROL;Benzene, [4-[(6-broMohexyl)oxy]butyl]-;6-(4-Phenylbutoxy)hexyl bromide;7-Oxa-11-phenylundecyl bromide
• CAS NO: 94749-73-2
• Molecular Formula: C₁₆H₂₅BrO
• Molecular Weight: 313.2731
• Mol File: 94749-73-2.mol
• Article Data: 16

Chemical Properties

• Appearance: /
• Density: 1.143±0.06 g/cm3 (20 ºC 760 Torr)
• CAS DataBase Reference: 1-[4-[(6-Bromohexyl)oxy]butyl]benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[4-[(6-Bromohexyl)oxy]butyl]benzene(94749-73-2)
• EPA Substance Registry System: 1-[4-[(6-Bromohexyl)oxy]butyl]benzene(94749-73-2)

Safety Data

• Hazardous Substances Data: 94749-73-2(Hazardous Substances Data)

Usage

General Description

1-[4-[(6-Bromohexyl)oxy]butyl]benzene is a chemical compound with the molecular formula C18H27BrO. It is a type of benzene derivative with a bromine atom and a hexyl-oxybutyl group attached to the benzene ring. 1-[4-[(6-Bromohexyl)oxy]butyl]benzene is commonly used in the production of industrial chemicals, such as surfactants and emulsifiers, due to its ability to lower the surface tension of liquids. It is also used as a building block in the synthesis of various organic compounds. However, 1-[4-[(6-Bromohexyl)oxy]butyl]benzene may pose environmental and health risks due to its potential toxicity and bioaccumulation. Therefore, proper handling and disposal procedures are essential when working with this chemical.

Upstream product

• 135235-81-3 6-(4-phenylbutyloxy)hexyl methanesulfonate 
• 629-03-8 1 ,6-dibromohexane 
• 3360-41-6 4-phenyl-butan-1-ol 

Downstream Products

• 97664-55-6 N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine 
• 928118-32-5 C₄₇H₅₂N₄O₂ 
• 934842-69-0 4-hydroxy-1-[[[6-(4-phenylbutoxy)hexyl](phenylmethyl)amino]methyl]-1,3-benzenedimethanol 
• 163923-19-1 2-hydroxy-5-<<<6,6-(4-phenylbutoxy)hexylbenzyl>amino>acetyl>benzaldehyde 
• 89365-50-4 salmeterol 
• 380414-69-7 (1R,1'S)-1-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)-2-{(2-hydroxy-1-phenyl-ethyl)-[6-(4-phenyl-butoxy)-hexyl]-amino}-ethanol 
• 590410-69-8 (R)-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-(6-(4-phenylbutoxy)hexylamino)ethanol 
• 497063-93-1 C₃₂H₄₀⁽²⁾H₃NO₄ 
• 497063-91-9 5-(2-{Benzyl-[6-(4-phenyl-butoxy)-hexyl]-amino}-acetyl)-2-hydroxy-benzoic acid methyl ester 
• 1025930-27-1 C₃₁⁽¹³⁾CH₄₀⁽²⁾H₃NO₄ 
• 261381-23-1 C₃₂⁽¹³⁾CH₄₁NO₅ 
• 590410-68-7 (5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[6-(4-phenylbutoxy)hexyl]-1,3-oxazolidin-2-one 
• 97664-54-5 6-(4-phenylbutoxy)hexanal 
• 384340-08-3 (1S)-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-{[6-(4-phenylbutoxy)hexyl]amino}ethanol 

Relevant articles and documents

Novel Bivalent Ligands Based on the Sumanirole Pharmacophore Reveal Dopamine D2 Receptor (D2R) Biased Agonism

The development of bivalent ligands has attracted interest as a way to potentially improve the selectivity and/or affinity for a specific receptor subtype. The ability to bind two distinct receptor binding sites simultaneously can allow the selective activation of specific G-protein dependent or β-arrestin-mediated cascade pathways. Herein, we developed an extended SAR study using sumanirole (1) as the primary pharmacophore. We found that substitutions in the N-1- and/or N-5-positions, physiochemical properties of those substituents, and secondary aromatic pharmacophores can enhance agonist efficacy for the cAMP inhibition mediated by Gi/o-proteins, while reducing or suppressing potency and efficacy toward β-arrestin recruitment. Compound 19 was identified as a new lead for its selective D2 G-protein biased agonism with an EC50 in the subnanomolar range. Structure-activity correlations were observed between substitutions in positions N-1 and/or N-5 of 1 and the capacity of the new bivalent compounds to selectively activate G-proteins versus β-arrestin recruitment in D2R-BRET functional assays.

An efficient and practical synthesis of salmeterol

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SUBSTITUTED ETHANOLAMINES

The present invention relates to new substituted ethanolamine adrenergic receptor modulators, pharmaceutical compositions thereof, and methods of use thereof.