1418144-66-7

Basic information

• Product Name: (E)-1-(3-ethyl-4-(hydroxymethyl)phenyl)ethan-1-one-O-(4-cyclohexyl-3-(trifluoromethyl)benzyl)-oxime
• Synonyms: (E)-1-(3-ethyl-4-(hydroxymethyl)phenyl)ethan-1-one-O-(4-cyclohexyl-3-(trifluoromethyl)benzyl)-oxime
• CAS NO: 1418144-66-7
• Molecular Weight: 433.514
• Mol File: 1418144-66-7.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: (E)-1-(3-ethyl-4-(hydroxymethyl)phenyl)ethan-1-one-O-(4-cyclohexyl-3-(trifluoromethyl)benzyl)-oxime(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-1-(3-ethyl-4-(hydroxymethyl)phenyl)ethan-1-one-O-(4-cyclohexyl-3-(trifluoromethyl)benzyl)-oxime(1418144-66-7)
• EPA Substance Registry System: (E)-1-(3-ethyl-4-(hydroxymethyl)phenyl)ethan-1-one-O-(4-cyclohexyl-3-(trifluoromethyl)benzyl)-oxime(1418144-66-7)

Safety Data

• Hazardous Substances Data: 1418144-66-7(Hazardous Substances Data)

Upstream product

• 1378888-43-7 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethan-1-one 
• 800381-60-6 4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene 
• 909190-70-1 1-[3-bromo-4-(bromomethyl)phenyl]ethan-1-one 
• 108-94-1 cyclohexanone 
• 392-83-6 o-trifluoromethylphenyl bromide 
• 13376-26-6 1-cyclohex-1-enyl-2-trifluoromethylbenzene 
• 1449293-48-4 1-cyclohexyl-4-methyl-2-trifluoromethylbenzene 
• 1449293-47-3 1-cyclohex-1-enyl-4-methyl-2-trifluoromethylbenzene 
• 261952-20-9 1-bromo-4-methyl-2-(trifluoromethyl)benzene 
• 1034188-31-2 2-(trifluoromethyl)-2',3',4',5'-tetrahydro-[1,1'-biphenyl]-4-carboxylic acid 
• 89490-05-1 cyclohex-1-enylboronic acid 
• 161622-14-6 4-bromo-3-(trifluoromethyl)benzoic acid 
• 957205-23-1 [4-cyclohexyl-3-(trifluoromethyl)phenyl]methanol 
• 916806-97-8 4-cyclohexyl-3-(trifluoromethyl)benzoic acid 

Downstream Products

• 1230487-00-9 Siponimod 
• 1230487-01-0 4-[(1E)-1-([[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino)ethyl]-2-ethylbenzaldehyde 

Relevant articles and documents

PROCESS FOR MAKING SIPONIMOD AND INTERMEDIATE THEREOF

The presented invention relates to a process for preparation of compound of formula (I) or a salt or a solvate thereof (i.e.) siponimod. The invention also relates to intermediates used in the process and solid forms of these intermediates.

AZETIDINE MODULATORS OF THE SPHINGOSINE 1-PHOSPHATE RECEPTOR

Described are deuterium-substituted azetidine compounds of Formula (I), which are modulators of sphingosine 1 -phosphate receptor. Also described are pharmaceutical compositions comprising the deuterium-substituted azetidine compounds, and methods of use thereof.

Discovery of BAF312 (Siponimod), a potent and selective S1P receptor modulator

A novel series of alkoxyimino derivatives as S1P1 agonists were discovered through de novo design using FTY720 as the chemical starting point. Extensive structure-activity relationship studies led to the discovery of (E)-1-(4-(1-(((4-cyclohexyl-3-(trifluoromethyl)benzyl)oxy)imino)ethyl) -2-ethylbenzyl)azetidine-3-carboxylic acid (32, BAF312, Siponimod), which has recently completed phase 2 clinical trials in patients with relapsing-remitting multiple sclerosis.