261506-31-4

Basic information

• Product Name: 6-{3-benzoyloxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yloxy}-3,4,5-tris-isobutyryloxy-tetrahydro-pyran-2-carboxylic acid methyl ester
• Synonyms: 6-{3-benzoyloxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yloxy}-3,4,5-tris-isobutyryloxy-tetrahydro-pyran-2-carboxylic acid methyl ester
• CAS NO: 261506-31-4
• Molecular Weight: 1111.32
• Mol File: 261506-31-4.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 6-{3-benzoyloxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yloxy}-3,4,5-tris-isobutyryloxy-tetrahydro-pyran-2-carboxylic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 6-{3-benzoyloxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yloxy}-3,4,5-tris-isobutyryloxy-tetrahydro-pyran-2-carboxylic acid methyl ester(261506-31-4)
• EPA Substance Registry System: 6-{3-benzoyloxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoro-pentane-1-sulfinyl)-nonyl]-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yloxy}-3,4,5-tris-isobutyryloxy-tetrahydro-pyran-2-carboxylic acid methyl ester(261506-31-4)

Safety Data

• Hazardous Substances Data: 261506-31-4(Hazardous Substances Data)

Upstream product

• 98-88-4 benzoyl chloride 
• 129453-61-8 fulvestrant 
• 150607-96-8 (2S,3S,4S,5R,6R)-2-(methoxycarbonyl)-6-(2,2,2-trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3,4,5-triyl tris(2-methylpropanoate) 
• 261506-25-6 fulvestrant 3-benzoate 

Relevant articles and documents

Putative metabolites of fulvestrant, an estrogen receptor downregulator. Improved glucuronidation using trichloroacetimidates

Following regioselective protection of the estrogen receptor downregulator fulvestrant (ICI 182,780) 1 as its 17-acetate 2 or 3-benzoate 4, the 3-sulfate 5 and 3- and 17-glucuronide conjugates 8 and 12 were prepared. Satisfactory preparation of 12 required use of the tri-O-isobutyryl imidate derivative 10 in conjunction with an inverse-addition technique not previously employed in glucuronidation. The value of this method for simpler aglycones is discussed together with a study of variations in donor acyl substituent and catalyst. Another putative metabolite, the 17-ketone 19, was prepared by direct oxidation of 1.