620971-18-8

Basic information

• Product Name: Benzene, 1-(methoxymethoxy)-3-propyl- (9CI)
• Synonyms: Benzene, 1-(methoxymethoxy)-3-propyl- (9CI)
• CAS NO: 620971-18-8
• Molecular Formula: C₁₁H₁₆O₂
• Molecular Weight: 180.24354
• Product Categories: METHOXY
• Mol File: 620971-18-8.mol

Chemical Properties

• Boiling Point: 256.3±23.0 °C(Predicted)
• Appearance: /
• Density: 0.970±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Benzene, 1-(methoxymethoxy)-3-propyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-(methoxymethoxy)-3-propyl- (9CI)(620971-18-8)
• EPA Substance Registry System: Benzene, 1-(methoxymethoxy)-3-propyl- (9CI)(620971-18-8)

Safety Data

• Hazardous Substances Data: 620971-18-8(Hazardous Substances Data)

Upstream product

• 621-27-2 3-n-propylphenol 
• 107-30-2 chloromethyl methyl ether 
• 100-83-4 meta-hydroxybenzaldehyde 
• 13709-05-2 3-methoxymethoxybenzaldehyde 
• 620971-19-9 1-(methoxymethoxy)-3-(1-propenyl)benzene 

Downstream Products

• 891859-12-4 1-({6-[(2-methoxy-4-propylbenzyl)oxy]-1-methyl-3,4-dihydronaphthalen-2-yl}methyl)azetidine-3-carboxylic acid 
• 891859-41-9 6-[(2-methoxy-4-propylbenzyl)oxy]-1-methyl-3,4-dihydro-2-naphthalenecarbaldehyde 
• 891859-11-3 (2-methoxy-4-propylphenyl)methanol 
• 119006-58-5 2-hydroxy-4-propylbenzoic acid 
• 620971-23-5 (2-fluoro-4-methoxyphenyl)(4-methoxy-2,5-dipropylphenyl)methanone 
• 620971-24-6 (2-fluoro-4-methoxy-phenyl)-(4-methoxy-2,5-dipropyl-phenyl)-methanol 
• 620971-26-8 6-methoxy-3-(4-methoxy-2,5-dipropylphenyl)-1,2-benzisoxazole 
• 620971-22-4 1-bromo-4-methoxy-2,5-dipropylbenzene 
• 620971-21-3 2-methoxy-1,4-dipropylbenzene 
• 288864-15-3 2,5-dipropylphenol 
• 785778-94-1 1-[2-(methoxymethoxy)-4-propylphenyl]propan-1-ol 

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).

AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF

The present invention relates to a compound represented by the formula (I), a salt thereof, an N-oxide form thereof, a solvate thereof, or a prodrug thereof, and a medicament containing the same. The compound represented by the formula (I) has an ability to bind to an S1P receptor (particularly, EDG-1, EDG-6, and/or EDG-8) and is useful for preventing and/or treating for rejection to transplantation, graft-versus-host disease, autoimmune diseases, allergic diseases, neurodegenerating diseases, and the like. wherein all symbols are described in the specification.

AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF

A compound represented by the general formula (I), a salt thereof, an N-oxide form thereof, a solvate thereof, or a prodrug of any of these; and a drug containing any of these. (I) (In the formula, all the symbols are as defined in the description.) The compound represented by the general formula (I) has the ability to combine with an S1P receptor (especially EDG-1, EDG-6, and/or EDG-8). It is useful for the prevention and/or treatment of rejection reactions to transplantation, graft versus host diseases, autoimmune diseases, allergic diseases, neurodegenerative diseases, etc.

Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-β ligands

New diphenolic azoles as highly selective estrogen receptor-β agonists are reported. The more potent and selective analogues of these series have comparable binding affinities for ERβ as the natural ligand 17β-estradiol but are > 100-fold selective over ERα. Our design strategy not only followed a traditional SAR approach but also was supported by X-ray structures of ERβ cocrystallized with various ligands as well as molecular modeling studies. These strategies enabled us to take advantage of a single conservative residue substitution in the ligand-binding pocket, ERα Met421 → ERβ Ile373, to optimize ERβ selectivity. The 7-position-substituted benzoxazoles (Table 5) were the most selective ligands of both azole series, with ERB-041 (117) being >200-fold selective for ERβ. The majority of ERβ selective agonists tested that were at least sim;50-fold selective displayed a consistent in vivo profile: they were inactive in several models of classic estrogen action (uterotrophic, osteopenia, and vasomotor instability models) and yet were active in the HLA-B27 transgenic rat model of inflammatory bowel disease. These data suggest that ERβ-selective agonists are devoid of classic estrogenic effects and may offer a novel therapy to treat certain inflammatory conditions.

Phenyl benzisoxazoles as estrogenic agents

This invention provides estrogen receptor modulators of formula I, having the structure wherein, R1, R2, and R3 are as defined in the specification, or a pharmaceutically acceptable salt thereof.