E2661

Estropipat

≥98% (HPLC), powder

• Synonym(e): Estropipat, 3-(Sulfooxy)-estra-1,3,5(10)-trien-17-on : Piperazin (1:1), Estronsulfat Piperazinsalz
• Empirische Formel (Hill-System): C₁₈H₂₂O₅S·C₄H₁₀N₂
• CAS-Nummer: 7280-37-7
• Molekulargewicht: 436.56
• EG-Nummer: 230-696-3
• MDL-Nummer: MFCD00867399
• UNSPSC-Code: 51111800
• PubChem Substanz-ID: 329799036
• NACRES: NA.77

Eigenschaften

• Qualitätsniveau: 100
• Assay: ≥98% (HPLC)
• Form: powder
• Optische Aktivität: [α]/D 100 to 120°, c = 1 in DMSO
• Farbe: white to tan
• Löslichkeit: DMSO: ≥24 mg/mL
• Ersteller: Johnson & Johnson
• Lagertemp.: 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
• InChIKey: HZEQBCVBILBTEP-ZFINNJDLSA-N
• Angaben zum Gen: human ... ESR1(2099)

Beschreibung

Biochem./physiol. Wirkung

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).

Leistungsmerkmale und Vorteile

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.

Sicherheitshinweise

• Piktogramme: GHS07,GHS08
• Signalwort: Danger
• H-Sätze: H302 - H350
• P-Sätze: P202 - P264 - P280 - P301 + P312 - P308 + P313 - P405
• Gefahreneinstufungen: Acute Tox. 4 Oral - Carc. 1A
• Lagerklassenschlüssel: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable