CAS 81586-98-3

3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4

Description:

3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4, commonly referred to as a deuterated form of estradiol, is a synthetic derivative of the natural estrogen hormone estradiol. This compound features hydroxyl groups at the 3 and 4 positions of the steroid nucleus, contributing to its biological activity and interaction with estrogen receptors. The presence of deuterium (d4) indicates that four hydrogen atoms in the molecule have been replaced with deuterium isotopes, which can alter the compound's metabolic stability and pharmacokinetics. This modification is often used in research to trace metabolic pathways or to study the compound's behavior in biological systems. The compound is typically characterized by its molecular formula, which reflects its steroid structure, and its physical properties, such as solubility and melting point, which are influenced by the hydroxyl groups and the deuterated nature of the molecule. Overall, this compound is significant in the study of estrogenic activity and the development of therapeutic agents targeting estrogen-related conditions.

Formula: C₁₈H₁₈D₄O₃

InChI: InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2

InChI key: InChIKey=XQZVQQZZOVBNLU-RFZGAVBWSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=C(O)C(O)=C(C4[2H])[2H])(CC1)[H])[H])(CC(C2=O)([2H])[2H])[H]

Synonyms:

• 3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d₄
• 4-Hydroxyestrone-1,2,16,16-D4
• Estra-1,3,5(10)-trien-17-one-1,2,16,16-d₄, 3,4-dihydroxy-
• Estra-1,3,5(10)-trien-17-one-1,2,16,16-d4, 3,4-dihydroxy-
• 3,4-Dihydroxyestra-1,3,5(10)-trien-17-one-1,2,16,16-d4

4-Hydroxyestrone-1,2,16,16-d4

CAS: 81586-98-3

Purity: 99 atom % D

Color and Shape: White-Yellow Solid

Molecular weight: 290.39

Ref: 3U-D5807

4-Hydroxy Estrone-d4

Controlled Product

CAS: 81586-98-3

Applications A labelled metabolite of Estradiol.
References Fishman, H.G, et al.: Biochemistry, 8, 4304 (1969), Ryan, Sugar, J., et al.: J. Clin. Endocrinol. Metab., 50, 137 (1980), Numazawa, M., et al.: Steroids, 38, 149 (1981), Travis, R., et al.: Breast Cancer Res., 5, 239 (2003),

Formula: C₁₈₂H₄H₁₈O₃

Color and Shape: Neat

Molecular weight: 290.39

Ref: TR-H941952

4-Hydroxy estrone-d4

Controlled Product

CAS: 81586-98-3

Please enquire for more information about 4-Hydroxy estrone-d4 including the price, delivery time and more detailed product information at the technical inquiry form on this page

Formula: C₁₈H₂₂O₃

Purity: Min. 95%

Molecular weight: 290.4 g/mol

Ref: 3D-GDA58698