70627-18-8

Basic information

• Product Name: 4-{[3-(TRIFLUOROMETHYL)BENZYL]OXY}BENZALDEHYDE
• Synonyms: 4-{[3-(TRIFLUOROMETHYL)BENZYL]OXY}BENZALDEHYDE;4-{[3-(trifluoromethyl)benzyl]oxy}benzaldehyde(SALTDATA: FREE);2X-0306;ZINC01384540
• CAS NO: 70627-18-8
• Molecular Formula: C₁₅H₁₁F₃O₂
• Molecular Weight: 280.25
• Mol File: 70627-18-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 360.8°C at 760 mmHg
• Flash Point: 166.2°C
• Appearance: /
• Density: 1.277g/cm³
• Vapor Pressure: 2.17E-05mmHg at 25°C
• Refractive Index: 1.543
• CAS DataBase Reference: 4-{[3-(TRIFLUOROMETHYL)BENZYL]OXY}BENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-{[3-(TRIFLUOROMETHYL)BENZYL]OXY}BENZALDEHYDE(70627-18-8)
• EPA Substance Registry System: 4-{[3-(TRIFLUOROMETHYL)BENZYL]OXY}BENZALDEHYDE(70627-18-8)

Safety Data

• Hazardous Substances Data: 70627-18-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H11F3O2/c16-15(17,18)13-3-1-2-12(8-13)10-20-14-6-4-11(9-19)5-7-14/h1-9H,10H2

Upstream product

• 123-08-0 4-hydroxy-benzaldehyde 
• 402-23-3 1-bromomethyl-3-trifluoromethylbenzene 
• 705-29-3 3-Trifluoromethylbenzyl chloride 
• 99-96-7 4-hydroxy-benzoic acid 

Downstream Products

• 1240307-47-4 1-(4-((3-(trifluoromethyl)benzyl)oxy)benzyl)azetidine-3-carboxylic acid 

Relevant articles and documents

Phenolic compounds containing benzyloxy phenyl and preparation method and application of phenolic compounds

The invention discloses phenolic compounds (I) containing benzyloxy phenyl and a preparation method and application of the phenolic compounds. Pharmacological experiments prove that the phenolic compounds have high inhibiting activity on sphingosine kinase SphK, and part of the compounds has a certain inhibiting effect on inflammatory bowel disease induced by tumor and DSS. The phenolic compounds and the pharmaceutical preparations thereof can be used for preparing drugs for treating a series of cancer and inflammatory diseases such as colon cancer, lung cancer, breast cancer, liver cancer, stomach cancer, inflammatory bowel disease, hepatitis, asthma, chronic obstructive pulmonary disease, rheumatoid arthritis and multiple sclerosis.

Development of hydroxy-based sphingosine kinase inhibitors and anti-inflammation in dextran sodium sulfate induced colitis in mice

Sphingosine kinase (SphK)-catalyzed production of sphingosine-1-phosphate (S1P) regulates cell growth, survival and proliferation as well as inflammatory status in animals. In recent study we reported the N′-(3-(benzyloxy)benzylidene)-3,4,5-trihydroxybenzohydrazide scaffold as a potent SphK inhibitor. As a continuation of these efforts, 51 derivatives were synthesized and evaluated by SphK1/2 inhibitory activities for structure-activity relationship (SAR) study. Among them, 33 was identified as the most potent SphK inhibitor. Potency of 33 was also observed to efficiently decrease SphK1/2 expression in human colorectal cancer cells (HCT116) and significantly inhibit dextran sodium sulfate (DSS)-induced colitis as well as the decreased expression of interleukin (IL)-6 and cyclooxygenase-2 (COX-2) in mouse models. Collectively, 33 was validated as an effective SphK inhibitor, which can be served as anti-inflammatory agent to probably treat inflammatory bowel diseases in human.

Discovery and SAR of hydrazide antagonists of the pituitary adenylate cyclase-activating polypeptide (PACAP) receptor type 1 (PAC1-R)

Potent small molecule antagonists for the PAC1-R have been discovered. Previously known antagonists for the PAC1-R were slightly truncated peptide ligands. The hydrazides reported here are the first small molecule antagonists ever reported for this class B GPCR.