61495-10-1

Usage

Uses

Used in Pharmaceutical Industry:
CHEMBRDG-BB 6368122 is used as a potential pharmaceutical candidate for [application reason] due to its unique structure and potential biological activities. Its specific application in the pharmaceutical industry may include [e.g., drug development, therapeutic agent, etc.], which requires further research to confirm its efficacy and safety.
Used in Agrochemical Industry:
In the agrochemical industry, CHEMBRDG-BB 6368122 is used as a potential compound for [application type], such as a pesticide or herbicide, due to its chemical properties that may offer [specific benefits, e.g., targeted pest control, reduced environmental impact, etc.]. Further studies are necessary to determine its suitability and effectiveness in this field.

InChI:InChI=1/C12H14O2/c1-8-6-10-9(7-12(8)14-2)4-3-5-11(10)13/h6-7H,3-5H2,1-2H3

Upstream product

• 3556-83-0 methyl 4-methyl-3-methoxybenzoate 

Downstream Products

• 1307813-78-0 ethyl (3S)-1-(2-hydroxy-2-(8-methyl-3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)ethyl)piperidine-3-carboxylate 
• 1307813-77-9 8-methyl-7-(oxiran-2-yl)-3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazole 
• 1307813-76-8 8-methyl-3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazole-7-carbaldehyde 
• 1307813-75-7 8-methyl-3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-7-vinyl-4,5-dihydronaphtho[1,2-c]isoxazole 
• 1307813-74-6 8-methyl-3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl trifluoromethanesulfonate 
• 1307813-73-5 8-methyl-3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-ol 
• 1307813-71-3 7-methoxy-8-methyl-3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazole 
• 1307810-33-8 (3S)-1-(2-hydroxy-2-(8-methyl-3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphthol[1,2-c]isoxazol-7-yl)ethyl)piperidine-3-carboxylic acid 
• 1307810-32-7 1-((8-methyl-3-(5-phenyl-4-(trifluoromethyl)isoxazol-3-yl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)methyl)azetidine-3-carboxylic acid 

Relevant academic research and scientific papers

Stereoselective Synthesis of the Spirocyclic γ-Lactam Core of the Ansalactams

Ansalactam A is an ansa macrolide natural product that contains a densely functionalized spiro-γ-lactam core containing three contiguous stereocenters. This unusual motif distinguishes it from other members of this family and represents a significant synthetic challenge. Herein, we report the development of a stereoselective formal [3+2] cycloaddition reaction for the construction of this key spiro-γ-lactam motif for the first time, thereby enabling access to the northern domain of ansalactam A.

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).