CAS 550997-55-2

3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthalenecarbonitrile

Description:

3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthalenecarbonitrile, with the CAS number 550997-55-2, is a chemical compound characterized by its complex structure, which includes a naphthalene core substituted with various functional groups. The presence of a fluorine atom and hydroxyl groups contributes to its potential biological activity and solubility properties. This compound is typically classified as an organic molecule and may exhibit properties such as being a potential ligand or inhibitor in biochemical pathways, particularly in pharmaceutical research. Its structure suggests it could interact with biological targets due to the presence of the hydroxyl groups, which can form hydrogen bonds, and the nitrile group, which may participate in various chemical reactions. The compound's stability, reactivity, and solubility in different solvents would depend on the specific conditions and the presence of other functional groups. Overall, this compound may be of interest in medicinal chemistry and drug development, particularly in the context of designing new therapeutic agents.

Formula: C₁₇H₁₀FNO₂

InChI: InChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H

InChI key: InChIKey=NSSOSHDCWCMNDM-UHFFFAOYSA-N

SMILES: C(#N)C=1C2=C(C=C(C1)C3=CC(F)=C(O)C=C3)C=CC(O)=C2

Synonyms:

• 1-Naphthalenecarbonitrile, 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-
• 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile
• WAY 202196
• ERB 196
• 3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthalenecarbonitrile

3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile

CAS: 550997-55-2

3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile (3F4) is a selective inhibitor of the estrogen receptor alpha. 3F4 blocks estrogen receptor alpha signaling, preventing the growth of breast cancer cells by blocking their ability to respond to estrogen. This agent also inhibits proliferation in other cancer cell lines and prolongs survival in mice with neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease. 3F4 has been shown to inhibit microglial activation, which may be due to its ability to bind to the estrogen receptor alpha.

Formula: C₁₇H₁₀FNO₂

Purity: Min. 95%

Molecular weight: 279.26 g/mol

Ref: 3D-AXA99755

ERB-196

CAS: 550997-55-2

Erb-196 is an estrogen receptor-receptor agonist with non-steroidal selectivity.

Formula: C₁₇H₁₀FNO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 279.27

Ref: TM-T11222