42981-94-2

Basic information

• Product Name: 1-(chloromethyl)-3-methoxy-2-methylbenzene
• Synonyms: 1-(chloromethyl)-3-methoxy-2-methylbenzene
• CAS NO: 42981-94-2
• Molecular Weight: 170.639
• Mol File: 42981-94-2.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: 1-(chloromethyl)-3-methoxy-2-methylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(chloromethyl)-3-methoxy-2-methylbenzene(42981-94-2)
• EPA Substance Registry System: 1-(chloromethyl)-3-methoxy-2-methylbenzene(42981-94-2)

Safety Data

• Hazardous Substances Data: 42981-94-2(Hazardous Substances Data)

Upstream product

• 33797-34-1 (3-methoxy-2-methylphenyl)methanol 
• 627883-78-7 3-methoxy-2-methyl-benzoic acid ethyl ester 
• 55289-06-0 3-methoxy-2-methylbenzoic acid 
• 56724-03-9 3-methoxy-2-methyl-benzaldehyde 
• 52130-17-3 3-amino-2-methylbenzoic acid 
• 603-80-5 3-hydroxy 2-methylbenzoic acid 
• 42981-93-1 3-methoxy-2-methylbenzoic acid methyl ester 
• 55289-05-9 methyl 3-hydroxy-2-methylbenzoate 
• 1975-50-4 2-methyl-3-nitrobenzic acid 

Downstream Products

• 94440-72-9 3-<3-Methoxy-2-methyl-benzyl>-2-methyl-4-oxo-cyclohexan-1-carbonsaeure-ethylester 
• 270086-63-0 (3-methoxy-2-methyl-benzylsulfanyl)-acetic acid 
• 33797-36-3 2-(3-methoxy-2-methylphenyl)acetic acid 
• 51438-99-4 5-(m-Hydroxy-o-methylphenyl)-penten-1 
• 4685-51-2 4-(chloromethyl)-2-methoxy-1-methylbenzene 
• 15159-14-5 6-methoxy-5-methyl-α-tetralone 
• 211503-45-6 4-(3-methoxy-2-methylphenyl)butanoic acid 
• 1258853-82-5 (S)-5-(3-(3-(2,3-dihydroxypropyl)-6-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile hydrochloride 
• 1258853-83-6 (R)-5-(3-(3-(2,3-dihydroxypropyl)-6-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile hydrochloride 
• 1258856-15-3 tert-butyl 7-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-6-methyl-4,5-dihydro-1H-benzo[d]azepine-3(2H)-carboxylate 
• 1258856-14-2 2-isopropoxy-5-(3-(6-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-1,2,4-oxadiazol-5-yl)benzonitrile trifluoroacetate 

Relevant articles and documents

Discovery of a 1-Methyl-3,4-dihydronaphthalene-Based Sphingosine-1-Phosphate (S1P) Receptor Agonist Ceralifimod (ONO-4641). A S1P1 and S1P5 Selective Agonist for the Treatment of Autoimmune Diseases

The discovery of 1-({6-[(2-methoxy-4-propylbenzyl)oxy]-1-methyl-3,4-dihydronaphthalen-2-yl}methyl)azetidine-3-carboxylic acid 13n (ceralifimod, ONO-4641), a sphingosine-1-phosphate (S1P) receptor agonist selective for S1P1 and S1P5, is described. While it has been revealed that the modulation of the S1P1 receptor is an effective way to treat autoimmune diseases such as relapsing-remitting multiple sclerosis (RRMS), it was also reported that activation of the S1P3 receptor is implicated in some undesirable effects. We carried out a structure-activity relationship (SAR) study of hit compound 6 with an amino acid moiety in the hydrophilic head region. Following identification of a lead compound with a dihydronaphthalene central core by inducing conformational constraint, optimization of the lipophilic tail region led to the discovery of 13n as a clinical candidate that exhibited >30 000-fold selectivity for S1P1 over S1P3 and was potent in a peripheral lymphocyte lowering (PLL) test in mice (ED50 = 0.029 mg/kg, 24 h after oral dosing).

Navigating CYP1A Induction and Arylhydrocarbon Receptor Agonism in Drug Discovery. A Case History with S1P1 Agonists

This article describes the finding of substantial upregulation of mRNA and enzymes of the cytochrome P450 1A family during a lead optimization campaign for small molecule S1P1 agonists. Fold changes in mRNA up to 10 000-fold for CYP1A1 in vivo

SOLUBLE GUANYLATE CYCLASE ACTIVATORS

The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R1, R2. R3, R4, R5, R6, A and B are as defined herein. The invention also r