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Bexarotene-[d4]

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General Information
Catalog: BLP-003547
CAS: 2182068-00-2
Molecular Formula: C24H24D4O2
Molecular Weight: 352.50

Chemical Structure

Description	Labelled Bexarotene. Bexarotene (Targretin) is an antineoplastic agent approved by the U.S. Food and Drug Administration (FDA) and the European Medicines Agency (EMA) (early 2001) for use as a treatment for cutaneous T cell lymphoma (CTCL). It is a third-generation retinoid. It inhibits cell cycle progression, induces apoptosis, prevents or overcomes multidrug resistance through multidrug resistance protein 1 (MDR1), and blocks angiogenesis and metastasis, making it a promising chemopreventive agent against cancer.
Synonyms	Bexarotene-d4; 4-(1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl)benzoic-2,3,5,6-d4 Acid; 4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]-benzoic Acid-d4; LGD1069 D4; Targretin-d4; Targretyn-d4
IUPAC Name	2,3,5,6-tetradeuterio-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
Related CAS	153559-49-0 (unlabelled)
Canonical SMILES	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
InChI	InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)/i7D,8D,9D,10D
InChI Key	NAVMQTYZDKMPEU-ULDPCNCHSA-N
Purity	≥95%; ≥99% atom D
Density	1.0 g/cm3 (Predicted) (unlabeled)
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Crystalline Solid
Storage	Store at -20°C