CAS 20592-42-1

Estra-1,3,5(10),16-tetraene-3,17-diol, 3,17-diacetate

Description:

Estra-1,3,5(10),16-tetraene-3,17-diol, 3,17-diacetate, commonly referred to in the context of steroid chemistry, is a synthetic derivative of estradiol, a naturally occurring estrogen. This compound features a tetracyclic structure characteristic of steroids, with specific functional groups that include hydroxyl (-OH) and acetate (-OCOCH3) groups. The presence of the tetraene configuration indicates multiple double bonds within the steroid framework, which can influence its biological activity and receptor binding properties. The diacetate form suggests that the hydroxyl groups at positions 3 and 17 are acetylated, which can enhance lipophilicity and alter the compound's pharmacokinetics. This compound is primarily studied for its potential applications in hormone replacement therapy and its role in various biochemical pathways. Its CAS number, 20592-42-1, allows for precise identification in chemical databases and literature. As with many steroid derivatives, the compound's activity can be influenced by its stereochemistry and the presence of substituents, making it a subject of interest in medicinal chemistry and endocrinology.

Formula: C₂₂H₂₆O₄

InChI: InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,9,12,18-20H,4,6,8,10-11H2,1-3H3/t18-,19-,20+,22+/m1/s1

InChI key: InChIKey=KPJNGUPMJAHAND-JBPLPALLSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(C)=O)=CC4)(CC1)[H])[H])(CC=C2OC(C)=O)[H]

Synonyms:

• Estra-1,3,5(10),16-Tetraene-3,17-Diyl Diacetate
• Estra-1,3,5(10),16-tetraene-3,17-diol, 3,17-diacetate
• Estrone enol diacetate
• NSC 97079
• Estra-1,3,5(10),16-tetraene-3,17-diol, diacetate

Estrone Enol Diacetate

CAS: 20592-42-1

Formula: C₂₂H₂₆O₄

Color and Shape: Solid

Molecular weight: 354.4394

Ref: IN-DA002AEQ

Estrone Enol Diacetate

Controlled Product

CAS: 20592-42-1

Applications Estrone Enol Diacetate can be applied as a substrate for human paroxonases. A steroid with potential to be inhibitor of NADH-oxidase and succinate oxidase.
References Teiber, J. et al.: Arch. Biochem. Bioiphys. 461, 24 (2007); Stoppani, A. et al.: Arch. Biochem. Biophys., 127, 463 (1968)

Formula: C₂₂H₂₆O₄

Color and Shape: Off-White

Molecular weight: 354.44

Ref: TR-E668950

Estrone enol diacetate

CAS: 20592-42-1

Estrone enol diacetate (E2D) is a labeled estrogen that is used in prostate cancer therapy. E2D binds to the estrogen receptors, which are found on the surface of cells and regulate gene transcription. The labeling agent aziridine allows for localization of the tumor tissue and provides a means for distinguishing between tumor cells and normal cells in PET scans. The most common type of imaging technique used with this drug is magnetic resonance imaging (MRI), which has been shown to be more accurate than other imaging techniques in pinpointing tumor size. E2D also has affinity for steroid receptors, which are found in both normal cells and cancer cells. This drug can inhibit the growth of cancerous cells by binding to these receptors, leading to cell death.

Formula: C₂₂H₂₆O₄

Purity: Min. 95%

Molecular weight: 354.4 g/mol

Ref: 3D-VAA59242

Estrone Enol Diacetate

CAS: 20592-42-1

Formula: C₂₂H₂₆O₄

Molecular weight: 354.45

Ref: ST-EA-CP-E30023