CAS 1630-82-6

4-Bromo-3-hydroxyestra-1,3,5(10)-trien-17-one

Description:

4-Bromo-3-hydroxyestra-1,3,5(10)-trien-17-one, commonly referred to as a synthetic derivative of estrogen, is a chemical compound characterized by its steroidal structure, which includes a bromine atom at the 4-position and a hydroxyl group at the 3-position of the estrane backbone. This compound is part of the broader class of estrogens, which are crucial in various biological processes, particularly in the regulation of the female reproductive system. The presence of the bromine atom can influence the compound's biological activity and receptor binding affinity. It typically exhibits moderate lipophilicity, allowing it to interact with cellular membranes and estrogen receptors. The compound's molecular structure contributes to its potential applications in medicinal chemistry, particularly in hormone replacement therapies and research into estrogen-related conditions. However, its use and effects must be carefully studied due to the complex nature of hormonal interactions in biological systems. Safety and regulatory considerations are also paramount when handling such compounds in laboratory or clinical settings.

Formula: C₁₈H₂₁BrO₂

InChI: InChI=1S/C18H21BrO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1

InChI key: InChIKey=NQFVJAYQCZUYON-QDTBLXIISA-N

SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=C(Br)C(O)=CC4)(CC1)[H])[H])(CCC2=O)[H]

Synonyms:

• Estra-1,3,5(10)-trien-17-one, 4-bromo-3-hydroxy-
• 4-Bromo-3-hydroxyestra-1,3,5(10)-trien-17-one
• 4-Bromoestrone

4-Bromoestrone (>90%)

Controlled Product

CAS: 1630-82-6

Formula: C₁₈H₂₁BrO₂

Purity: >90%

Color and Shape: Neat

Molecular weight: 349.26

Ref: TR-B685065

4-Bromoestrone

Controlled Product

CAS: 1630-82-6

4-Bromoestrone is a synthetic estrogen that has been shown to be useful in the treatment of breast cancer. It has been used as an antineoplastic drug, which is a substance that slows the growth of abnormal cells. 4-Bromoestrone can be acetylated by a nitro group and then converted into 4-bromotamoxifen (4-BT), which is a potent anti-tumor agent. The structure of 4-bromoestrone resembles that of estrogens, but it lacks the C2 methyl group found on estradiol and other estrogens, which makes it more difficult for enzymes to convert it into other estrogens. 4-Bromoestrone binds with high affinity to estrogen receptors and can activate them without requiring any cofactors or cofactors. This means that the drug has no effect on tissues that do not contain these receptors.

Formula: C₁₈H₂₁BrO₂

Purity: Min. 95%

Molecular weight: 349.3 g/mol

Ref: 3D-BAA63082

4-Bromoestrone

CAS: 1630-82-6

Formula: C₁₈H₂₁BrO₂

Molecular weight: 349.27

Ref: ST-EA-CP-E21048