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Merck
CN

E2661

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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关于此项目

经验公式（希尔记法）:
C18H22O5S·C4H10N2
化学文摘社编号:
7280-37-7
分子量:
436.56
NACRES:
NA.77
PubChem Substance ID:
329799036
UNSPSC Code:
51111800
EC Number:
230-696-3
MDL number:
MFCD00867399

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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

100

Gene Information

human ... ESR1(2099)

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相关类别

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
GHS08,GHS07

signalword

Danger

hcodes

H302,H350

Hazard Classifications

Acute Tox. 4 Oral - Carc. 1A

存储类别

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

法规信息

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分析证书(COA)

Lot/Batch Number
0000161307
0000161307
0000161308
031M4721V

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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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