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5976-61-4

5976-61-4 structure
5976-61-4 structure
  • Name: 4-hydroxyestradiol
  • Chemical Name: 4-hydroxy-17β-estradiol
  • CAS Number: 5976-61-4
  • Molecular Formula: C18H24O3
  • Molecular Weight: 288.38100
  • Catalog: analytical chemistry Analytical reagent Ion chromatography reagent
  • Create Date: 2018-07-05 21:30:30
  • Modify Date: 2024-01-02 18:27:22
  • 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
Synonyms 4-Hydroxy-17β-estradiol
MFCD00063335
4-HYDROXYESTRADIOL
4-hydroxy-17beta-estradiol
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
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

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
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

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