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Chalepensin

Names

[ CAS No. ]:
13164-03-9

[ Name ]:
Chalepensin

[Synonym ]:
Xyloltenin
Chalepensin

Biological Activity

[Description]:

Chalepensin, a furanocoumarin, is a competitive CYP2A6 inhibitor. Chalepensin also inhibits human CYP1A1, CYP1A2, CYP2A13, CYP2C9, CYP2D6, CYP2E1, and CYP3A4 to different extents[1].

[Related Catalog]:

Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450
Research Areas >> Neurological Disease

[References]

[1]. Yune-Fang Ueng, et al. Mechanism-based inhibition of CYP1A1 and CYP3A4 by the furanocoumarin chalepensin. Drug Metab Pharmacokinet. 2013;28(3):229-38.  

Chemical & Physical Properties

[ Density]:
1.211g/cm3

[ Boiling Point ]:
390.5ºC at 760mmHg

[ Molecular Formula ]:
C16H14O3

[ Molecular Weight ]:
254.28100

[ Flash Point ]:
190ºC

[ Exact Mass ]:
254.09400

[ PSA ]:
43.35000

[ LogP ]:
4.00280

[ Vapour Pressure ]:
2.64E-06mmHg at 25°C

[ Index of Refraction ]:
1.606

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LV1051020
CHEMICAL NAME :
7H-Furo(3,2-g)(1)benzopyran-7-one, 6-(1,1-dimethylallyl)-
CAS REGISTRY NUMBER :
13164-03-9
LAST UPDATED :
199707
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H14-O3
MOLECULAR WEIGHT :
254.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2880 mg/kg
SEX/DURATION :
female 1-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 55,176,1989

Safety Information

[ HS Code ]:
2932999099

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%