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Galeterone-[13C6]

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General Information
Catalog: BLP-001321
Molecular Formula: C20[13C]6H32N2O
Molecular Weight: 394.50

Chemical Structure

Description	Labelled Galeterone. Galeterone (TOK-001 or VN/124-1) is a novel antiandrogen under development by Tokai Pharmaceuticals for the treatment of prostate cancer. It possesses a unique dual mechanism of action, acting as both anandrogen receptor antagonist and an inhibitor of CYP17A1, an enzyme required for the biosynthesis of theandrogens.
Synonyms	(3S,8R,9S,10R,13S,14S)-17-(1H-benzo[d]imidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol-13C6; [13C6]-TOK 001
IUPAC Name	(3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CAS	851983-85-2 (unlabelled)
Canonical SMILES	CC12CCC(CC1=CCC3C2CCC4(C3CC=C4N5C=NC6=CC=CC=C65)C)O
InChI	InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1/i3+1,4+1,5+1,6+1,22+1,23+1
InChI Key	PAFKTGFSEFKSQG-KDPIFTBTSA-N
Purity	98%; 99% atom 13C