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Merck
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文件

E2661

Sigma-Aldrich

雌酮硫酸酯哌嗪

≥98% (HPLC), powder

别名:

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

经验公式（希尔记法）:
C18H22O5S·C4H10N2
CAS号:
7280-37-7
分子量:
436.56
EC號碼:
230-696-3
MDL號碼:
MFCD00867399
分類程式碼代碼:
51111800
PubChem物質ID:
329799036
NACRES:
NA.77

化驗

≥98% (HPLC)

形狀

powder

光學活性

[α]/D 100 to 120°, c = 1 in DMSO

顏色

white to tan

溶解度

DMSO: ≥24 mg/mL

起源

Johnson & Johnson

儲存溫度

2-8°C

SMILES 字串

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

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

InChI 密鑰

HZEQBCVBILBTEP-ZFINNJDLSA-N

基因資訊

human ... ESR1(2099)

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生化／生理作用

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).

特點和優勢

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.

象形圖

Health hazardExclamation mark
GHS08,GHS07

訊號詞

Danger

危險聲明

H302,H350

危險分類

Acute Tox. 4 Oral - Carc. 1A

儲存類別代碼

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

水污染物質分類（WGK）

WGK 3

閃點（°F）

Not applicable

閃點（°C）

Not applicable

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