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CAS 153004-31-0
(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Codes: FULV-014
Application context (from source-drug indications)
Breast cancerFulvestrantProstate cancerFulvestrant多发性骨纤维性发育不良Fulvestrant性早熟FulvestrantHR阳性乳腺癌FulvestrantMetastatic breast cancerFulvestrant
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Fulvestrant | Tier B — Position early | - |
Position in synthesis routes (up/downstream chain)
Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.
9-bromononan-1-ol→((9-bromononyl)oxy)(tert-butyl)dimethylsilane→(9-((tert-butyldimethylsilyl)oxy)nonyl)magnesium bromide→(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate→(7R,8R,9S,10R,13S,14S,17S)-7-(9-((tert-butyldimethylsilyl)oxy)nonyl)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate→(7R,8R,9S,10R,13S,14S,17S)-7-(9-hydroxynonyl)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate→9-((7R,8R,9S,10R,13S,14S,17S)-17-acetoxy-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)nonyl acetate→9-((7R,8R,9S,13S,14S,17S)-17-acetoxy-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-7-yl)nonyl acetate→(7R,8R,9S,13S,14S,17S)-3-hydroxy-7-(9-hydroxynonyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate→(7R,8R,9S,13S,14S,17S)-17-acetoxy-7-(9-hydroxynonyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl benzoate→(7R,8R,9S,13S,14S,17S)-17-acetoxy-13-methyl-7-(9-((methylsulfonyl)oxy)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl benzoate→4,4,5,5,5-pentafluoropentane-1-thiol→(7R,8R,9S,13S,14S,17S)-17-acetoxy-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl benzoate→(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol→(8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one→(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one→2-methoxyprop-1-ene→(8R,9S,13S,14S,17S)-3,17-bis((2-methoxypropan-2-yl)oxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one→1,9-dibromononane→(7S,8R,9S,13S,14S,17S)-7-(9-bromononyl)-3,17-bis((2-methoxypropan-2-yl)oxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one→(7R,8R,9S,13S,14S,17S)-7-(9-bromononyl)-3,17-bis((2-methoxypropan-2-yl)oxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene→4,4,5,5,5-pentafluoropentyl carbamimidothioate methanesulfonate→(9-((7R,8R,9S,13S,14S,17S)-3,17-bis((2-methoxypropan-2-yl)oxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-7-yl)nonyl)(4,4,5,5,5-pentafluoropentyl)sulfane
(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol→(8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol→2,2'-(((8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl)bis(oxy))bis(tetrahydro-2H-pyran)→(8R,9S,13S,14S,17S)-13-methyl-3,17-bis((tetrahydro-2H-pyran-2-yl)oxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-ol→(8R,9S,13S,14S,17S)-13-methyl-3,17-bis((tetrahydro-2H-pyran-2-yl)oxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one→(9-iodononyl)(4,4,5,5,5-pentafluoropentyl)sulfane→(7S,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-3,17-bis((tetrahydro-2H-pyran-2-yl)oxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one
(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol→1,9-dibromononane→(8R,9S,13S,14S,17S)-13-methyl-3,17-bis((tetrahydro-2H-pyran-2-yl)oxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one→(7S,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-3,17-bis((tetrahydro-2H-pyran-2-yl)oxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one→(7S,8R,9S,13S,14S,17S)-7-(9-bromononyl)-13-methyl-3,17-bis((tetrahydro-2H-pyran-2-yl)oxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one→S-(4,4,5,5,5-pentafluoropentyl) benzothioate
(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol→(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one→(9-iodononyl)(4,4,5,5,5-pentafluoropentyl)sulfane→(8R,9S,13S,14S,17S)-13-methyl-6-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl diacetate→(7S,8R,9S,13S,14S,17S)-13-methyl-6-oxo-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl diacetate→(7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)thio)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diyl diacetate
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