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Merck
CN

E2661

Estropipate

≥98% (HPLC), powder

Synonym(s):

Estropipate, 3-(Sulfooxy)-estra-1,3,5(10)-trien-17-one : piperazine (1:1), Estrone sulfate piperazine salt, Harmogen, Ogen

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About This Item

Empirical Formula (Hill Notation):
C18H22O5S·C4H10N2
CAS Number:
Molecular Weight:
436.56
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
51111800
EC Number:
230-696-3
MDL number:
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InChI key

HZEQBCVBILBTEP-ZFINNJDLSA-N

InChI

1S/C18H22O5S.C4H10N2/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;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1

SMILES string

C1CNCCN1.C[C@]23CC[C@H]4[C@@H](CCc5cc(OS(O)(=O)=O)ccc45)[C@@H]2CCC3=O

assay

≥98% (HPLC)

form

powder

optical activity

[α]/D 100 to 120°, c = 1 in DMSO

color

white to tan

solubility

DMSO: ≥24 mg/mL

originator

Johnson & Johnson

storage temp.

2-8°C

Quality Level

Gene Information

human ... ESR1(2099)

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Biochem/physiol Actions

Estropipate is the piperazine salt of the estrogen receptor agonist estrone-3-sulfate and a potent, specific inhibitor of the organic anion transporting polypeptide 1B1 (OATP1B1, IC50 = 60 nM).
Estropipate is the piperazine salt of the estrogen receptor agonist estrone-3-sulfate and a potent, specific inhibitor of the organic anion transporting polypeptide 1B1.

Features and Benefits

This compound is a featured product for ADME Tox research. Click here to discover more featured ADME Tox products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.
This compound is featured on the Nuclear Receptors (Steroids) page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.
This compound was developed by Johnson & Johnson. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

pictograms

Health hazardExclamation mark

signalword

Danger

hcodes

Hazard Classifications

Acute Tox. 4 Oral - Carc. 1A

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Juliana Félix-Silva et al.
PloS one, 9(8), e104952-e104952 (2014-08-16)
Snakebites are a serious public health problem due their high morbi-mortality. The main available specific treatment is the antivenom serum therapy, which has some disadvantages, such as poor neutralization of local effects, risk of immunological reactions, high cost and difficult
Andrea Doni et al.
The Journal of experimental medicine, 212(6), 905-925 (2015-05-13)
Pentraxin 3 (PTX3) is a fluid-phase pattern recognition molecule and a key component of the humoral arm of innate immunity. In four different models of tissue damage in mice, PTX3 deficiency was associated with increased fibrin deposition and persistence, and

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