E2661

Estropipate

≥98% (HPLC), powder

• Sinónimos: Estropipate, 3-(Sulfooxy)-estra-1,3,5(10)-trien-17-one : piperazine (1:1), Estrone sulfate piperazine salt, Harmogen, Ogen
• Fórmula empírica (notación de Hill): C₁₈H₂₂O₅S·C₄H₁₀N₂
• Número de CAS: 7280-37-7
• Peso molecular: 436.56
• Número CE: 230-696-3
• Número MDL: MFCD00867399
• Código UNSPSC: 51111800
• ID de la sustancia en PubChem: 329799036
• NACRES: NA.77

Propiedades

• Nivel de calidad: 100
• Ensayo: ≥98% (HPLC)
• Formulario: powder
• actividad óptica: [α]/D 100 to 120°, c = 1 in DMSO
• color: white to tan
• solubilidad: DMSO: ≥24 mg/mL
• emisor: Johnson & Johnson
• temp. de almacenamiento: 2-8°C
• cadena SMILES: 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
• Clave InChI: HZEQBCVBILBTEP-ZFINNJDLSA-N
• Información sobre el gen: human ... ESR1(2099)

Descripción

Acciones bioquímicas o fisiológicas

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.

Características y beneficios

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.

Información de seguridad

• Pictogramas: GHS08,GHS07
• Palabra de señalización: Danger
• Frases de peligro: H302,H350
• Consejos de prudencia: P202 - P264 - P280 - P301 + P312 - P308 + P313 - P405
• Clasificaciones de peligro: Acute Tox. 4 Oral - Carc. 1A
• Código de clase de almacenamiento: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• Clase de riesgo para el agua (WGK): WGK 3
• Punto de inflamabilidad (°F): Not applicable
• Punto de inflamabilidad (°C): Not applicable