CAS 50394-90-6

(17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,4,17-triol

Description:

The chemical substance known as "(17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,4,17-triol," with the CAS number 50394-90-6, is a synthetic steroid that belongs to the class of progestins. It is characterized by a modified steroid structure, which includes a triple bond at the 20-position and hydroxyl groups at the 3, 4, and 17 positions. This compound is notable for its potential biological activity, particularly in relation to hormonal regulation and reproductive health. Its structural modifications enhance its binding affinity to progesterone receptors, making it relevant in the study of contraceptive methods and hormone replacement therapies. The presence of the triple bond and specific hydroxyl groups contributes to its unique pharmacological properties, influencing its metabolic stability and activity. As a synthetic derivative, it is often investigated for its therapeutic applications and effects on various physiological processes, including its role in the menstrual cycle and pregnancy.

Formula: C₂₀H₂₄O₃

InChI: InChI=1/C20H24O3/c1-3-20(23)11-9-16-14-4-5-15-12(6-7-17(21)18(15)22)13(14)8-10-19(16,20)2/h1,6-7,13-14,16,21-23H,4-5,8-11H2,2H3/t13-,14-,16+,19+,20?/m1/s1

InChI key: InChIKey=SYFHJXSYRPNSOI-RXUQYVRZSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=C(O)C(O)=CC4)(CC1)[H])[H])(CC[C@]2(C#C)O)[H]

Synonyms:

• 19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,4,17-triol
• 4-Hydroxyethinylestradiol
• 19-Norpregna-1,3,5(10)-trien-20-yne-3,4,17-triol, (17α)-
• 17α-Ethynylestra-1,3,5(10)-triene-3,4,17β-triol
• (17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,4,17-triol

4-Hydroxy Ethynyl Estradiol

CAS: 50394-90-6

Stability Hygroscopic, Light Sensitive
Applications A metabolite of 17α-Ethynylestradiol.
References Buchthal, J., et al.: Eur. J. Clin. Pharmacol., 47, 431 (1995), Krausz, K., et al.: Drug Metab. Dispos., 29, 1410 (2001), Hall, S., et al.: Clin. Pharmacol. Ther., 74, 525 (2003), Chen, Y., et al.: J. Pharmacol. Exp. Ther., 308, 495 (2004)

Formula: C₂₀H₂₄O₃

Color and Shape: Neat

Molecular weight: 312.40

Ref: TR-H941965

4-Hydroxy ethynyl estradiol

CAS: 50394-90-6

4-Hydroxy ethynyl estradiol is a synthetic estrogen that is used in the treatment of hormone-dependent cancers, such as breast cancer. It has been shown to induce cellular proliferation and promote tumor growth by binding to estrogen receptors and inhibiting the synthesis of proteins in cells. 4-Hydroxy ethynyl estradiol may be carcinogenic due to its ability to form covalent adducts with DNA, which causes mutations that may lead to cancer. The drug also damages protein targets, including enzymes responsible for regulating cell division or protecting against oxidative stress.

Formula: C₂₀H₂₄O₃

Purity: Min. 95%

Molecular weight: 312.4 g/mol

Ref: 3D-FH23999