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

CAS: 1228-72-4 Cat. No.: E1454015 Molecular Weight: 288.38 EC Number: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@H]2O)O)CCC4=C3C=CC(=C4)O
• WGK Germany: 3
• PubChem CID: 256737
• Molecular Weight: 288.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Chemical and Physical Properties

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