4-hydroxyestradiol

Modify Date: 2024-01-02 18:27:22

4-hydroxyestradiol structure	Common Name	4-hydroxyestradiol
	CAS Number	5976-61-4	Molecular Weight	288.38100
	Density	1.248g/cm3	Boiling Point	468.6ºC at 760 mmHg
	Molecular Formula	C₁₈H₂₄O₃	Melting Point	>210ºC (dec.)
	MSDS	Chinese USA	Flash Point	220.6ºC
	Symbol	GHS08	Signal Word	Warning

Use of 4-hydroxyestradiol

4-Hydroxyestradiol (4-Hydroxy-17β-estradiol) is an endogenous metabolite of Estradiol (HY-B0141). 4-Hydroxyestradiol is carcinogenic and shows mutagenic activity in breast epithelial cells. 4-Hydroxyestradiol inhibits the binding of Estradiol to the estrogen receptor in a competitive manner, with a Ki of 0.48 nM[1][2].

Name	4-hydroxy-17β-estradiol
Synonym	More Synonyms

Description	4-Hydroxyestradiol (4-Hydroxy-17β-estradiol) is an endogenous metabolite of Estradiol (HY-B0141). 4-Hydroxyestradiol is carcinogenic and shows mutagenic activity in breast epithelial cells. 4-Hydroxyestradiol inhibits the binding of Estradiol to the estrogen receptor in a competitive manner, with a Ki of 0.48 nM[1][2].
Related Catalog	Research Areas >> Cancer
References	[1]. Fernandez SV, et al. Estradiol and its metabolites 4-hydroxyestradiol and 2-hydroxyestradiol induce mutations in human breast epithelial cells. Int J Cancer. 2006 Apr 15;118(8):1862-8. doi: 10.1002/ijc.21590. [2]. Van Aswegen CH, et al. Binding of 2-hydroxyestradiol and 4-hydroxyestradiol to estrogen receptors from human breast cancers. J Steroid Biochem. 1989 Apr;32(4):485-92.

Description

Related Catalog

Research Areas >> Cancer

References

[1]. Fernandez SV, et al. Estradiol and its metabolites 4-hydroxyestradiol and 2-hydroxyestradiol induce mutations in human breast epithelial cells. Int J Cancer. 2006 Apr 15;118(8):1862-8. doi: 10.1002/ijc.21590.

[2]. Van Aswegen CH, et al. Binding of 2-hydroxyestradiol and 4-hydroxyestradiol to estrogen receptors from human breast cancers. J Steroid Biochem. 1989 Apr;32(4):485-92.

Density	1.248g/cm3
Boiling Point	468.6ºC at 760 mmHg
Melting Point	>210ºC (dec.)
Molecular Formula	C₁₈H₂₄O₃
Molecular Weight	288.38100
Flash Point	220.6ºC
Exact Mass	288.17300
PSA	60.69000
LogP	3.31480
Index of Refraction	1.622
Storage condition	−20°C

4-hydroxyestradiol MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KG7676000

CHEMICAL NAME :: Estra-1,3,5(10)-triene-3,4,17-beta-triol

CAS REGISTRY NUMBER :: 5976-61-4

LAST UPDATED :: 199712

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C18-H24-O3

MOLECULAR WEIGHT :: 288.42

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Implant

SPECIES OBSERVED :: Rodent - hamster

DOSE/DURATION :: 900 mg/kg/90D-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 1280 ng/kg

SEX/DURATION :: male 8 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - other effects on male Endocrine - androgenic

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

DOSE :: 10 ug/kg

SEX/DURATION :: female 1 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - uterus, cervix, vagina

MUTATION DATA

TEST SYSTEM :: Rodent - hamster

DOSE/DURATION :: 14 mg/kg/7D (Continuous)

REFERENCE :: CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 15,997,1994

Symbol	GHS08
Signal Word	Warning
Hazard Statements	H351
Precautionary Statements	P281
Hazard Codes	Xn
Risk Phrases	40
Safety Phrases	S22;S36
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	KG7676000

Precursor 8
CAS#:3131-23-5 4-hydroxyestrone CAS#:50-28-2 beta-Estradiol CAS#:7233-63-8 3,4-bis(acetylo... CAS#:734-32-7 Bolandione
CAS#:81319-72-4 4,5-Epoxy-5β-es... CAS#:210096-72-3 4,5-Epoxy-5α-es... CAS#:210096-74-5 4,5-Epoxy-5β-es... CAS#:6301-88-8 Estra-1,3,5(10)...
DownStream 3
CAS#:26788-23-8 1,3,5(10)-Estra... CAS#:5976-66-9 3-Methoxyestra-... CAS#:26890-04-0 4-hydroxyestrad...

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4-Hydroxy-17β-estradiol

MFCD00063335

4-HYDROXYESTRADIOL

4-hydroxy-17beta-estradiol

4-hydroxyestradiol

Use of 4-hydroxyestradiol

Names