17-Epiestriol - Moligand™,≥95% , CAS No.1228-72-4

CAS: 1228-72-4 Cat. No.: E1454015 Peso molecular: 288.38 Número EC: 641-794-4 PubChem CID: 256737

GRADE & PURITY Moligand™, ≥95%

Synonyms

(8R,9S,13S,14S,16R,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol (Estriol Impurity) | Estra-1,3,5(10)-triene-3,16alpha,17alpha-triol (17-epi-Estriol) | (16α,17α)-Estra-1,3,5(10)-triene-3,16,17-triol | 16α,1

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

17-Epiestriol is an estrogen metabolite and a selective estrogen receptor ( ER ) β agonist. 17-epiestriol inhibits the mRNA and protein expression of the vascular cell adhesion molecule VCAM-1 induced by tumor necrosis factor α (TNFα). 17-epiestriol also inhibits TNFα-induced VCAM-1 expression and prevents NF-κB migration to the nucleus. 17-Epiestriol also induces the mRNA and protein expression of endothelial nitric oxide synthase.

Specifications

Sinónimos

(8R, 9S, 13S, 14S, 16R, 17S)-13-Methyl-7, 8, 9, 11, 12, 13, 14, 15, 16, 17-decahydro-6H-cyclopenta[a]phenanthrene-3, 16, 17-triol (Estriol Impurity) | Estra-1, 3, 5(10)-triene-3, 16alpha, 17alpha-triol (17-epi-Estriol) | (16α, 17α)-Estra-1, 3, 5(10)-triene-3, 16, 17-triol | 16α, 1

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

AGONIST

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
• IUPAC Name: (8R,9S,13S,14S,16R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
• InChIKey: PROQIPRRNZUXQM-PNVOZDDCSA-N
• INCHI: 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1
• Isómeros SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@H]2O)O)CCC4=C3C=CC(=C4)O
• WGK Alemania: 3
• PubChem CID: 256737
• Peso molecular: 288.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Estrane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Estrane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Estrogens and derivatives
• Alternative Parents: 3-hydroxysteroids 17-hydroxysteroids 16-alpha-hydroxysteroids Phenanthrenes and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Cyclic alcohols and derivatives 1,2-diols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Estrogen-skeleton - 3-hydroxysteroid - 17-hydroxysteroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - Hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Cyclic alcohol - Secondary alcohol - 1,2-diol - Polyol - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
• External Descriptors: C18 steroids (estrogens) and derivatives

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: DMSO (Slightly), Methanol (Slightly)