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Merck
CN

41171

4-Hydroxyestradiol

analytical standard

Synonym(s):

1,3,5(10)-Estratriene-3,4,17β-triol

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About This Item

Empirical Formula (Hill Notation):
C18H24O3
CAS Number:
5976-61-4
Molecular Weight:
288.38
NACRES:
NA.24
PubChem Substance ID:
329756068
UNSPSC Code:
41116107
MDL number:
MFCD00063335

Key Documents

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InChI

1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1

SMILES string

[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4c(O)c(O)ccc24

InChI key

QOZFCKXEVSGWGS-ZHIYBZGJSA-N

grade

analytical standard

assay

≥95.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

pharmaceutical

format

neat

storage temp.

−20°C

Quality Level

100

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Biochem/physiol Actions

4-Hydroxyestradiol, an metabolite of estradiol, forms adducts with adenine (N3) and guanine (N7) by depurinating sites in DNA of cultured human breast epithelial cells. This effect may play an important role in malignant transformation of these cells.

Analysis Note

LC-MS identity conforms

hcodes

H351

pictograms

Health hazard
GHS08

signalword

Warning

pcodes

P281

Hazard Classifications

Carc. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCK6022
BCCK2126
BCCH4387
BCCJ4512
BCCJ4511

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Tilak Khanal et al.
Toxicology and applied pharmacology, 277(1), 39-48 (2014-03-19)
Leptin, a hormone with multiple biological actions, is produced predominantly by adipose tissue. Among its functions, leptin can stimulate tumour cell growth. Oestrogen receptor α (ERα), which plays an essential role in breast cancer development, can be transcriptionally activated in

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