Bexarotene

Description

Bexarotene · CAS 153559-49-0 · C24H28O2. UNII A61RXM4375. Melting Point: 230-231 °C; Solubility: 1.49e-04 g/L; LogP: 6.9.

Identification

CAS Registry Number	153559-49-0
PubChem CID	82146
Molecular formula	C24H28O2
IUPAC name	4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
UNII (FDA)	A61RXM4375

Computed Descriptors

Molecular Weight	348.5
XLogP3	7.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	348.208930132
Monoisotopic Mass	348.208930132
Topological Polar Surface Area	37.3
Heavy Atom Count	26
Formal Charge	0

Physical & Chemical Properties

Melting Point	230-231 °C
Solubility	1.49e-04 g/L
LogP	6.9

Physical description & handling notes

• Solid
• Off-white to white powder
• Insoluble in water and slightly soluble in vegetable oils and ethanol
• Avoid exposing to high temperatures and humidity after the bottle is opened. Protect from light.
• 208.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1040619]
• Also reported as white crystals, mp 234 °C

GHS Hazard Classification

Reported hazard statements	H302 (11.1%), H315 (22.2%), H319 (11.1%), H335 (11.1%), H361 (77.8%), H413 (11.1%)

Documented Uses

• MESH Heading: Antineoplastic agent
• Use (kg; approx.) in Germany (2009): >10
• Consumption (g per capita; approx.) in Germany (2009): 0.000122
• M.F. Boehm et al., World Intellectual Property Organization patent 9321146 (1993 to Ligand Pharm.); M.L. Dawson et al., US patent 5466861 (1995 to SRI Int.; La Jolla Cancer Res. Found.)
• Used orally for the treatment of skin manifestations of cutaneous T-cell lymphoma (CTCL) in patients who are refractory to at least one prior systemic therapy. Also used topically for the treatment of skin lesions in early (stage IA and IB) CTCL in patients who experience refractory or persistent disease with the use of other therapies or are intolerant of other therapies.
• Bexarotene is a retinoid analogue that is used to treat the skin manifestations of cutaneous T cell lymphoma (CTCL). Bexarotene therapy is associated with a high rate of serum enzyme elevations and rare instances of clinically apparent acute liver injury.

Synonyms

Bexarotene; 153559-49-0; Targretin; Targrexin; LGD1069; LGD-1069; bexaroteno; bexarotenum; LG100069; DTXSID1040619; 4-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic acid; LG-100069; p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid; NSC-747528; A61RXM4375; 4-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)benzoic acid

Frequently Asked Questions

What are the CAS number and molecular formula of Bexarotene?

CAS 153559-49-0; molecular formula C24H28O2; molecular weight — g/mol.

What other names is Bexarotene known by?

Bexarotene, 153559-49-0, Targretin, Targrexin, LGD1069, LGD-1069.

Is Bexarotene classified as hazardous?

Hazard statements reported: H302, H315, H319, H335, H361.

What are the key physical properties of Bexarotene?

Melting Point: 230-231 °C; Solubility: 1.49e-04 g/L; LogP: 6.9.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.