110578-29-5

Basic information

• Product Name: 5-(2-METHOXYPHENYL)-3-ISOXAZOLEMETHANOL
• Synonyms: 5-(2-METHOXYPHENYL)-3-ISOXAZOLEMETHANOL
• CAS NO: 110578-29-5
• Molecular Formula: C₁₁H₁₁NO₃
• Molecular Weight: 205.21
• Mol File: 110578-29-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 90-91 °C
• Boiling Point: 354.3±32.0 °C(Predicted)
• Appearance: /
• Density: 1.217±0.06 g/cm3(Predicted)
• PKA: 13.02±0.10(Predicted)
• CAS DataBase Reference: 5-(2-METHOXYPHENYL)-3-ISOXAZOLEMETHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(2-METHOXYPHENYL)-3-ISOXAZOLEMETHANOL(110578-29-5)
• EPA Substance Registry System: 5-(2-METHOXYPHENYL)-3-ISOXAZOLEMETHANOL(110578-29-5)

Safety Data

• Hazardous Substances Data: 110578-29-5(Hazardous Substances Data)

Upstream product

• 668971-17-3 5-(2-methoxyphenyl)isoxazole-3-carboxylic acid methyl ester 

Downstream Products

• 110578-34-2 2-buten-1-one-3-amino-4-hydroxy-1-o-methoxyphenyl 
• 110578-42-2 5-o-methoxyphenyl-3(2H)-furanone 

Relevant articles and documents

Design, synthesis and biological evaluation of stilbene derivatives as novel inhibitors of protein tyrosine phosphatase 1B

By imitating the scaffold of lithocholic acid (LCA), a natural steroidal compound displaying Protein Tyrosine Phosphatase 1B (PTP1B) inhibitory activity, a series of stilbene derivatives containing phenyl-substituted isoxazoles were designed and synthesized. The structures of the title compounds were confirmed by 1H-NMR, 13C-NMR and HRMS. Activities of the title compounds were evaluated on PTP1B and the homologous enzyme TCPTP by using a colorimetric assay. Most of the target compounds had good activities against PTP1B. Among them, compound 29 (IC50 = 0.91 ± 0.33 μM), characterized by a 5-(2,3-dichlorophenyl) isoxazole moiety, exhibited an activity about 14-fold higher than the lead compound LCA and a 4.2-fold selectivity over TCPTP. Compound 29 was identified as a competitive inhibitor of PTP1B with a Ki value of 0.78 μM in enzyme kinetic studies.