99007-90-6

Basic information

• Product Name: 2-[(4-OXO-3-PHENYL-4H-CHROMEN-7-YL)OXY]PROPANOIC ACID
• Synonyms: 2-((4-oxo-3-phenyl-4h-1-benzopyran-7-yl)oxy)-propanoicaci;2-((4-oxo-3-phenyl-4h-1-benzopyran-7-yl)oxy)propanoicacid;2-[(4-OXO-3-PHENYL-4H-CHROMEN-7-YL)OXY]PROPANOIC ACID;7-(1-Hydroxycarbonylethyl)oxy-3-phenyl-4H-1-benzopyran-4-one;Propanoic acid, 2-((4-oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy)-
• CAS NO: 99007-90-6
• Molecular Formula: C18H14O5
• Molecular Weight: 310.3
• Mol File: 99007-90-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 522.1°Cat760mmHg
• Flash Point: 193.7°C
• Appearance: /
• Density: 1.341g/cm³
• Vapor Pressure: 1E-11mmHg at 25°C
• Refractive Index: 1.624
• CAS DataBase Reference: 2-[(4-OXO-3-PHENYL-4H-CHROMEN-7-YL)OXY]PROPANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(4-OXO-3-PHENYL-4H-CHROMEN-7-YL)OXY]PROPANOIC ACID(99007-90-6)
• EPA Substance Registry System: 2-[(4-OXO-3-PHENYL-4H-CHROMEN-7-YL)OXY]PROPANOIC ACID(99007-90-6)

Safety Data

• Hazardous Substances Data: 99007-90-6(Hazardous Substances Data)

Usage

Specific content

Scopoletin

Specific content

Naturally occurring compound found in several plant species

Specific content

Inhibits the growth of certain bacteria and fungi

Specific content

In food and cosmetic products

Classification

Coumarin derivative

Properties

a. Anti-inflammatory
b. Antioxidant
c. Antimicrobial

Potential therapeutic benefits

a. Treating arthritis
b. Preventing cardiovascular disease
c. Inhibiting cancer

Other potential applications

a. Improving skin health
b. Promoting wound healing

InChI:InChI=1/C18H14O5/c1-11(18(20)21)23-13-7-8-14-16(9-13)22-10-15(17(14)19)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)

Upstream product

• 99007-84-8 7-(1-ethoxycarbonylethyl)-oxy-3-phenyl-4H-1-benzopyran-4-one 
• 102805-96-9 Hydroxyisopropyl-Ipriflavone 

Relevant articles and documents

Characterization of cytochrome P450s mediating ipriflavone metabolism in human liver microsomes

Ipriflavone, a synthetic flavonoid for the prevention and treatment of osteoporosis, has been reported to be extensively metabolized in man to seven metabolites (M1-M7). This study was performed to characterize the human liver cytochrome P450s (CYP) responsible for the metabolism of ipriflavone. Hydroxylation at the β-ring to M3, O-dealkylation to M1 and oxidation at isopropyl group to M4 and M5 are major pathways for ipriflavone metabolism in three different human liver microsome preparations. The specific CYPs responsible for ipriflavone oxidation to the active metabolites, M1, M3, M4 and M5 were identified using a combination of correlation analysis, immuno-inhibition, chemical inhibition in human liver microsomes and metabolism by expressed recombinant CYP enzymes. The inhibitory potencies of ipriflavone and its five metabolites, M1-M5 on seven clinically important CYPs were investigated in human liver microsomes. Our results demonstrate that CYP3A4 plays the major role in O-dealkylation of ipriflavone to M1 and CYP1A2 plays a dominant role in the formation of M3, M4 and M5. Ipriflavone and/or its five metabolites were found to inhibit potently the metabolism of CYPs 1A2, 2C8, 2C9 and 2C19 substrates.

Treatment for osteoporosis

A compound of the formula STR1 wherein R1 is hydrogen or hydroxy, R2 and R3 are independently hydrogen or lower alkyl and Y is carboxyl or a group convertible to carboxyl is effective for prevention or treatment of osteopo