ChemicalBook--->CAS DataBase List--->486-60-2

486-60-2

486-60-2 Structure

486-60-2 Structure
IdentificationBack Directory
[Name]

BERGAPTOL
[CAS]

486-60-2
[Synonyms]

BERGAPTOL
NSC 341958
BERGAPTOL hplc
5-HYDROXYPSORALEN
4-HYDROXYPSORALEN
4-Hydroxybergapten
BERGAPTOL WITH HPLC
5-Hydroxy-6,7-furanocouMarin
4-hydroxy-7H-furo[3,2-g]chroMen-7-one
4-Hydroxy-7H-furo[3,2-g][1]benzopyran-7-one
Bergaptol, 98%, from Citrus medica L. var. sarcodactylis Swingle
[Molecular Formula]

C11H6O4
[MDL Number]

MFCD00210479
[MOL File]

486-60-2.mol
[Molecular Weight]

202.16
Chemical PropertiesBack Directory
[Melting point ]

287-290°C
[Boiling point ]

311.9±11.0 °C(Predicted)
[density ]

1.526±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

6.80±0.20(Predicted)
[color ]

Pale Beige to Pale Brown
[BRN ]

190104
[LogP]

1.405 (est)
Hazard InformationBack Directory
[Uses]

A hydroxylated psoralen that acts as a potent inhibitors of debenzylation activity of CYP3A4 enzyme with an IC50 value of 24.92 and 42.93 μM, respectively. Recent studies suggest that it may have antiproliferative and anticancer properties.
[Definition]

ChEBI: Bergaptol is a member of psoralens and a 5-hydroxyfurocoumarin. It is a conjugate acid of a bergaptol(1-).
[target]

CYP3A4
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

22-24/25-26
[WGK Germany ]

3
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