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
• NACRES: NA.77
• PubChem Substance ID: 329799036
• UNSPSC Code: 51111800
• EC Number: 230-696-3
• MDL number: MFCD00867399
• Assay: ≥98% (HPLC)
• Form: powder
• Quality level: 100

Eigenschaften

• 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)

Beschreibung

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.

Sicherheitshinweise

• 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
• Lagerklasse: 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