69770-23-6

Usage

Uses

Used in Pharmaceutical Industry:
3-(4-TERT-BUTYLPHENOXY)BENZALDEHYDE is used as a key intermediate compound for the synthesis of various pharmaceuticals. Its unique structure allows it to be a valuable building block in the development of new drugs with potential therapeutic applications.
Used in Chemical Research:
In the field of chemical research, 3-(4-TERT-BUTYLPHENOXY)BENZALDEHYDE is used as a starting material for the synthesis of a wide range of organic compounds. Its versatility in chemical reactions makes it a valuable asset for the development of new chemical entities with diverse applications.
Used in Drug Discovery:
3-(4-TERT-BUTYLPHENOXY)BENZALDEHYDE is used as a component in high-throughput parallel synthesis of library compounds for early drug discovery. Its incorporation into these libraries aids in the identification of potential drug candidates with novel biological activities.
Used in Purification Platforms:
3-(4-TERT-BUTYLPHENOXY)BENZALDEHYDE is also utilized in the purification platform developed by ArQule, which is based on reverse phase high-performance liquid chromatography (HPLC) separation and mass-directed fractionation. This technology allows for the efficient separation and purification of complex mixtures, facilitating the isolation of target compounds for further analysis and application.

InChI:InChI=1/C17H18O2/c1-17(2,3)14-7-9-15(10-8-14)19-16-6-4-5-13(11-16)12-18/h4-12H,1-3H3

Upstream product

• 98-54-4 para-tert-butylphenol 
• 87199-16-4 3-Formylphenylboronic acid 

Downstream Products

• 1430093-66-5 C₃₁H₃₄N₄O 
• 1430093-70-1 C₁₄H₁₉N₃O₃ 
• 1430093-68-7 C₃₂H₃₇N₃O₃ 
• 1430093-74-5 C₃₉H₅₀N₄O₅ 
• 1360762-58-8 4-methoxy-6-[2-(3-(4-tert-butylphenoxy)phenyl)ethyl]-2H-pyran-2-one 

Relevant academic research and scientific papers

Probing the Hydrophobic Binding Pocket of G-Protein-Coupled Lysophosphatidylserine Receptor GPR34/LPS1 by Docking-Aided Structure-Activity Analysis

The ligands of certain G-protein-coupled receptors (GPCRs) have been identified as endogenous lipids, such as lysophosphatidylserine (LysoPS). Here, we analyzed the molecular basis of the structure-activity relationship of ligands of GPR34, one of the LysoPS receptor subtypes, focusing on recognition of the long-chain fatty acid moiety by the hydrophobic pocket. By introducing benzene ring(s) into the fatty acid moiety of 2-deoxy-LysoPS, we explored the binding site's preference for the hydrophobic shape. A tribenzene-containing fatty acid surrogate with modifications of the terminal aromatic moiety showed potent agonistic activity toward GPR34. Computational docking of these derivatives with a homology modeling/molecular dynamics-based virtual binding site of GPR34 indicated that a kink in the benzene-based lipid surrogates matches the L-shaped hydrophobic pocket of GPR34. A tetrabenzene-based lipid analogue bearing a bulky tert-butyl group at the 4-position of the terminal benzene ring exhibited potent GPR34 agonistic activity, validating the present hydrophobic binding pocket model.

Compositions containing aromatic aldehydes and their use in treatments

Disclosed are pharmaceutical and cosmetic compositions containing aromatic aldehyde compounds. Some of the disclosed compositions are useful as topical therapeutics for treating inflammatory dermatologic conditions. Some of the compositions are useful in transdermal and other systemic dose forms for treating other inflammatory conditions in mammals.