1103500-32-8

Basic information

• Product Name: methyl5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate
• Synonyms: methyl5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate;EOS-60877;methyl 5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate(WXFC0740)
• CAS NO: 1103500-32-8
• Molecular Formula: C₁₅H₁₂F₃NO₄
• Molecular Weight: 327.2552896
• Mol File: 1103500-32-8.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 379.8±42.0 °C(Predicted)
• Appearance: /
• Density: 1.380±0.06 g/cm3(Predicted)
• PKA: -4.75±0.50(Predicted)
• CAS DataBase Reference: methyl5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate(1103500-32-8)
• EPA Substance Registry System: methyl5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate(1103500-32-8)

Safety Data

• Hazardous Substances Data: 1103500-32-8(Hazardous Substances Data)

Upstream product

• 94651-33-9 2-(trifluoromethoxy)benzaldehyde 
• 1383740-01-9 (Z)-N-hydroxy-2-(trifluoromethoxy)benzimidoyl chloride 
• 32249-35-7 methyl 3-cyclopropyl-3-oxopropanoate 
• 1383740-00-8 (E)-2-(trifluoromethoxy)benzaldehyde oxime 
• 543713-03-7 N-hydroxy-2-(trifluoromethoxy)benzimidonyl chloride 
• 255820-47-4 2-(trifluoromethoxy)benzoaldehyde oxime 

Downstream Products

• 946427-86-7 4-(bromomethyl)-5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole 
• 1383816-28-1 methyl-2-(3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)-4-fluorobenzo[d]thiazole-6-carboxylate 
• 1383816-29-2 2-[(1R,3r,5S)-3-({5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methoxy)-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid 
• 1383816-32-7 methyl 2-(3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxybenzo[d]thiazole-6-carboxylate 
• 1383816-33-8 2-(3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)-4-methoxybenzo[d]thiazole-6-carboxylic acid 
• 1383816-93-0 methyl 5-cyclopropyl-6-((1S,3R)-3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)nicotinate 
• 1383816-94-1 5-cyclopropyl-6-((1S,3R)-3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)nicotinic acid 
• 1383822-31-8 (1R,3S,5S)-3-({5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methoxy)-8-azabicyclo[3.2.1]octane 
• 1383824-64-3 methyl 6-(3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)benzo[d]isothiazole-3-carboxylate 
• 1383817-89-7 6-(3-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)benzo[d]isothiazole-3-carboxylic acid 
• 1383740-02-0 tert-butyl 4-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)piperidine-1-carboxylate 
• 1383740-03-1 5-cyclopropyl-4-((piperidin-4-yloxy)methyl)-3-(2-(trifluoromethoxy)phenyl)isoxazole 
• 1383739-48-7 ethyl 2-(4-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)benzo[d]thiazole-6-carboxylate 
• 1103500-51-1 tert-butyl 4-((5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methoxy)azepane-1-carboxylate 

Relevant articles and documents

COMPOSITIONS AND METHODS FOR TREATING LIVER DISORDERS

The present disclosure is directed to FXR agonists, pharmaceutical compositions thereof, and methods of using the same for preventing, treating, or ameliorating fatty liver diseases such as steatosis, non-alcoholic fatty liver disease, and non-alcoholic steatohepatitis, either alone or in combination with thyroid receptor agonists.

Structure-guided modification of isoxazole-type FXR agonists: Identification of a potent and orally bioavailable FXR modulator

Farnesoid X receptor (FXR) agonists are emerging as potential therapeutics for the treatment of various metabolic diseases, as they display multiple effects on bile acid, lipid, and glucose homeostasis. Although the steroidal obeticholic acid, a full FXR agonist, was recently approved, several side effects probably due to insufficient pharmacological selectivity impede its further clinical application. Activating FXR in a partial manner is therefore crucial in the development of novel FXR modulators. Our efforts focusing on isoxazole-type FXR agonists, common nonsteroidal agonists for FXR, led to the discovery a series of novel FXR agonists bearing aryl urea moieties through structural simplification of LJN452 (phase 2). Encouragingly, compound 11k was discovered as a potent FXR agonist which exhibited similar FXR agonism potency but lower maximum efficacy compared to full agonists GW4064 and LJN452 in cell-based FXR transactivation assay. Extensive in vitro evaluation further confirmed partial efficacy of 11k in cellular FXR-dependent gene modulation, and revealed its lipid-reducing activity. More importantly, orally administration of 11k in mice exhibited desirable pharmacokinetic characters resulting in promising in vivo FXR agonistic activity.

PPARs-FXR multi-target micromolecular agonist as well as preparation method and application thereof

The invention discloses a PPARs-FXR multi-target micromolecule agonist and a preparation method and application thereof, the structure is shown in a general formula I, and the definition of each substituent group is shown in the description and claims. Th