E2661

Estropipate

≥98% (HPLC), powder

• Synonyma: Estropipate, 3-(Sulfooxy)-estra-1,3,5(10)-trien-17-one : piperazine (1:1), Estrone sulfate piperazine salt, Harmogen, Ogen
• Empirický vzorec (Hillův zápis): C₁₈H₂₂O₅S·C₄H₁₀N₂
• Číslo CAS: 7280-37-7
• Molekulová hmotnost: 436.56
• EC Number: 230-696-3
• MDL number: MFCD00867399
• UNSPSC Code: 51111800
• PubChem Substance ID: 329799036
• NACRES: NA.77

Vlastnosti

• Quality Level: 100
• 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
• SMILES string: 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 key: HZEQBCVBILBTEP-ZFINNJDLSA-N
• Gene Information: human ... ESR1(2099)

Popis

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).

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.

Bezpečnostní informace

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302,H350
• pcodes: P202 - P264 - P280 - P301 + P312 - P308 + P313 - P405
• 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_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable