18718-79-1

Basic information

• Product Name: (5-METHYL-3-PHENYL-4-ISOXAZOLYL)METHANOL
• Synonyms: RARECHEM AL BD 0514;(5-METHYL-3-PHENYLISOXAZOL-4-YL)METHANOL;(5-METHYL-3-PHENYL-4-ISOXAZOLYL)METHANOL;BUTTPARK 154\16-51;4-(Hydroxymethyl)-5-methyl-3-phenylisoxazole;5-Methyl-3-phenylisoxazole-4-methanol;3-phenyl-4- hydroxylmethyl-5-methyl-isoxazole;4-Isoxazolemethanol, 5-methyl-3-phenyl-
• CAS NO: 18718-79-1
• Molecular Formula: C₁₁H₁₁NO₂
• Molecular Weight: 189.21
• Mol File: 18718-79-1.mol
• Article Data: 11

Chemical Properties

• Melting Point: 81 °C
• Boiling Point: 382.4 °C at 760 mmHg
• Flash Point: 185.1 °C
• Appearance: White to light yellow crystal powder
• Density: 1.176 g/cm³
• Vapor Pressure: 1.57E-06mmHg at 25°C
• Refractive Index: 1.566
• Storage Temp.: 2-8°C
• PKA: 13.49±0.10(Predicted)
• CAS DataBase Reference: (5-METHYL-3-PHENYL-4-ISOXAZOLYL)METHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: (5-METHYL-3-PHENYL-4-ISOXAZOLYL)METHANOL(18718-79-1)
• EPA Substance Registry System: (5-METHYL-3-PHENYL-4-ISOXAZOLYL)METHANOL(18718-79-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 18718-79-1(Hazardous Substances Data)

Usage

Chemical Properties

White to light yellow crystal powde

InChI:InChI=1/C11H11NO2/c1-8-10(7-13)11(12-14-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3

Upstream product

• 1136-45-4 5-methyl-3-phenylisoxazol-4-carboxylic acid 
• 100-52-7 benzaldehyde 
• 932-90-1 Benzaldoxime 
• 1143-82-4 ethyl 5-methyl-3-phenylisoxazole-4-carboxylate 
• 932-90-1 syn-benzaldehyde oxime 
• 698-16-8 benzohydroximoyl chloride 
• 2065-28-3 methyl 5-methyl-3-phenylisoxazole-4-carboxylate 
• 87967-95-1 5-methyl-3-phenylisoxazole-4-carboxaldehyde 

Downstream Products

• 1159599-62-8 2-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-isonicotinic acid methyl ester 
• 1159599-02-6 2-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-5-trifluoromethyl-pyridine 
• 1254966-47-6 C₂₄H₃₇NOSn 
• 1254966-46-5 4-(2,2-dibromo-vinyl)-5-methyl-3-phenyl-isoxazole 
• 1254966-48-7 C₁₂H₁₀INO 
• 180597-83-5 4-(bromomethyl)-5-methyl-3-phenylisoxazole 
• 1159599-53-7 N-methyl-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-(tetrahydro-pyran-4-yl)-nicotinamide 
• 1159599-86-6 (5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridin-3-yl]-methanone 
• 1159601-35-0 (4-hydroxy-piperidin-1-yl)-[6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridin-3-yl]-methanone 
• 1159601-90-7 [6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridin-3-yl]-thiazolidin-3-yl-methanone 
• 1159599-24-2 6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-pyridin-2-ylmethyl-nicotinamide 
• 1159599-96-8 N-(3-isopropyl-isoxazol-5-ylmethyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide 
• 1159601-85-0 6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-(1-methyl-1H-pyrazol-4-yl)-nicotinamide 
• 1159599-52-6 N-(4-fluoro-phenyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide 

Relevant articles and documents

Design and Structural Optimization of Dual FXR/PPARδActivators

Nonalcoholic steatohepatitis (NASH) is considered as severe hepatic manifestation of the metabolic syndrome and has alarming global prevalence. The ligand-activated transcription factors farnesoid X receptor (FXR) and peroxisome proliferator-activated receptor (PPAR) δhave been validated as molecular targets to counter NASH. To achieve robust therapeutic efficacy in this multifactorial pathology, combined peripheral PPAR?-mediated activity and hepatic effects of FXR activation appear as a promising multitarget approach. We have designed a minimal dual FXR/PPARδactivator scaffold by rational fusion of pharmacophores derived from selective agonists. Our dual agonist lead compound exhibited weak agonism on FXR and PPARδand was structurally refined to a potent and balanced FXR/PPARδactivator in a computer-aided fashion. The resulting dual FXR/PPARδmodulator comprises high selectivity over related nuclear receptors and activates the two target transcription factors in native cellular settings.

Dimeric isoxazolyl-1,4-dihydropyridines have enhanced binding at the multi-drug resistance transporter

A series of dimeric isoxazolyl-1,4-dihydropyridines (IDHPs) were prepared by click chemistry and examined for their ability to bind the multi-drug resistance transporter (MDR-1), a member of the ATP-binding cassette superfamily (ABC). Eight compounds in t

Aromatic heterocyclic small molecule organic compounds and derivatives, preparation method and medical use

The invention discloses heterocyclic aromatic micromolecule organic compounds as shown in the structural formula (I) and derivatives thereof, or hydrates or pharmaceutically acceptable salts, and a preparation method of the corresponding compounds; the invention also discloses an application of the compounds and pharmaceutical compositions containing the compounds to the treatment of various metabolic syndrome-related diseases. The heterocyclic aromatic micromolecule organic compounds of the invention have excellent treatment effect on metabolic syndromes; experiment results show that the compounds may promote secretion of endogenous GLP-1, and are applicable to the preparation of anti-diabetic and fat-reducing candidate medicaments. Aiming at technical problems of easy degradation and short half life of current medicaments for treating diabetes, the invention provides novel, high-efficient micromolecule compounds for promoting secretion of endogenous GLP-1, and the compounds are applicable to the treatment of metabolic syndrome-related diseases such as diabetes, obesity and the like.