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Merck

E9145

Estrone 3-sulfate potassium salt

≥98%

Synonym(s):

1,3,5(10)-Estratrien-17-one 3-sulfate

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About This Item

Linear Formula:
C18H21O5SK
CAS Number:
1240-04-6
Molecular Weight:
388.52
NACRES:
NA.77
PubChem Substance ID:
24894691
UNSPSC Code:
51111800
EC Number:
214-985-1
MDL number:
MFCD00056410
Form:
powder
Assay:
≥98%

Key Documents

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InChI key

XFQXTMKDDYWSBS-DLEHHZMWSA-N

InChI

1S/C18H22O5S.K.H/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);;/t14-,15-,16+,18+;;/m1../s1

SMILES string

[K].[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc4cc(OS(O)(=O)=O)ccc24

assay

≥98%

form

powder

contains

~35% Tris as stabilizer

color

off-white to light tan

solubility

methanol: 9.80-10.20 mg/mL, clear, colorless to faintly yellow

shipped in

ambient

storage temp.

−20°C

Quality Level

200

Biochem/physiol Actions

The most abundant estrogen in adult human circulation. Conversion to estradiol requires steroid sulfatase activity. This activity was used to evaluate freshly resected bone fragments against cultured osteoblasts and osteosearcoma cells as models for studying human bone metabolism.

Packaging

Package size based on steroid content

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Repr. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000415092
0000415092
0000398586
0000398586
0000124234

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Elizabeth J Folkerd et al.
Journal of clinical oncology : official journal of the American Society of Clinical Oncology, 30(24), 2977-2980 (2012-07-18)
To investigate whether suppression of plasma estradiol and estrone sulfate levels by the aromatase inhibitors (AIs) anastrozole and letrozole is related to body mass index (BMI) in postmenopausal women with early estrogen receptor (ER) -positive breast cancer. Recent studies have
Maria Karlgren et al.
Journal of medicinal chemistry, 55(10), 4740-4763 (2012-05-01)
The hepatic organic anion transporting polypeptides (OATPs) influence the pharmacokinetics of several drug classes and are involved in many clinical drug-drug interactions. Predicting potential interactions with OATPs is, therefore, of value. Here, we developed in vitro and in silico models
G Lunardi et al.
Breast cancer research and treatment, 137(1), 167-174 (2012-11-07)
Estrogen synthesis suppression induced by aromatase inhibitors in breast cancer (BC) patients may be affected by single nucleotide polymorphisms (SNPs) of the gene encoding aromatase enzyme, CYP19A1. We assessed the association between plasma estrone sulfate (ES), letrozole treatment, and four
Anne Mette Lund Würtz et al.
Cancer causes & control : CCC, 23(10), 1711-1720 (2012-08-29)
Levels of endogenous estrogen and SHBG are associated with risk of breast cancer among women who have never used hormone replacement therapy (HRT). We investigated these associations in both never and baseline users of HRT. A nested case-control study was
Nan Li et al.
PloS one, 7(5), e36647-e36647 (2012-05-11)
As an important structure in membrane proteins, transmembrane domains have been found to be crucial for properly targeting the protein to cell membrane as well as carrying out transport functions in transporters. Computer analysis of OATP sequences revealed transmembrane domain
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