171746-21-7

Basic information

• Product Name: AGN 193109
• Synonyms: AGN 193109;4-[2-[5,6-Dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl]ethynyl]benzoic Acid;CD 3106;4-{[5,5-diMethyl-8-(4-Methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid;AGN 193109 SodiuM Salt;4-((5,5-Dimethyl-8-p-tolyl-5,6-dihydronaphthalen-2-yl)ethynyl)benzoic acid
• CAS NO: 171746-21-7
• Molecular Formula: C28H24O2
• Molecular Weight: 392.496
• Product Categories: Aromatics Compounds;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 171746-21-7.mol
• Article Data: 3

Chemical Properties

• Melting Point: 246-255?C
• Boiling Point: 564.5 °C at 760 mmHg
• Flash Point: 257.1 °C
• Appearance: /
• Density: 1.21 g/cm³
• Vapor Pressure: 1.41E-13mmHg at 25°C
• Refractive Index: 1.663
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform (Slightly, Heated), DMSO (Slightly, Sonicated)
• PKA: 4.08±0.10(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: AGN 193109(CAS DataBase Reference)
• NIST Chemistry Reference: AGN 193109(171746-21-7)
• EPA Substance Registry System: AGN 193109(171746-21-7)

Safety Data

• Hazardous Substances Data: 171746-21-7(Hazardous Substances Data)

Usage

Chemical Properties

Off-White Solid

Uses

As a retinoic acid receptor (RAR) antagonist, 4-{[5,5-dimethyl-8-(4-methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid can be used for treating chemotherapy and radiation therapy side effects.

InChI:InChI=1/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)

Upstream product

• 171568-43-7 ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)ethynyl]benzoate 
• 171568-44-8 ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl)oxy-2-naphthalenyl)ethynyl]benzoate 
• 166978-49-0 ethyl 4-[(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]benzoate 
• 166978-47-8 7-(trimethylsilyl)ethynyl-3,4-dihydro-4,4-dimethylnaphthalen-1-(2H)-one 
• 166978-46-7 7-bromo-4,4-dimethyl-3,4-dihydro-2H-naphthalen-1-one 
• 166978-48-9 7-ethynyl-3,4-dihydro-4,4-dimethylnaphthalen-1-(2H)-one 
• 2979-69-3 3,4-dihydro-4,4-dimethyl-1(2H)-naphthalenone 

Relevant articles and documents

SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES

2,2-Dialkyl-4-aryl-substituted benzopyran and benzothiopyran derivatives of the formula STR1 where the symbols have the meaning described in the specification, have retinoid negative hormone and/or antagonist-like biological activities. The invented RAR antagonists can be administered to mammals, including humans, for the purpose of preventing or diminishing action of RAR agonists on the bound receptor sites. Specifically, the RAR agonists are administered or coadministered with retinoid drugs to prevent or ameliorate toxicity or side effects caused by retinoids or vitamin A or vitamin A precursors. The retinoid negative hormones can be used to potentiate the activities of other retinoids and nuclear receptor agonists.

Synthesis and characterization of a highly potent and effective antagonist of retinoic acid receptors

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