Zb-716
[(7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]boronic acid
Molecular Identity
Zb-716
[(7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]boronic acid
PubChem CID: 126480615
2D Structure
Properties
C32H48BF5O4S
Molecular Formula
634.60
Molecular Weight
g/mol
634.3287
Exact Mass
Da
97
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
10
H-Bond Acceptors
907
Complexity
SMILES
Canonical SMILES
SMILES: B(C1=CC2=C(C=C1)C3CCC4(C(C3C(C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)CCC4O)C)(O)OIsomeric SMILES
SMILES: B(C1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)CC[C@@H]4O)C)(O)OSynonyms(20)
ZB7161853279-29-4Fulvestrant-3-boronic acidZB-716BorestrantUNII-E35ZN95LMTB-((7alpha,17beta)-17-Hydroxy-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-trien-3-yl)boronic acidB-[(7alpha,17beta)-17-Hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-3-yl]boronic acidBoronic acid, B-((7alpha,17beta)-17-hydroxy-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-trien-3-yl)-B-((7.ALPHA.,17.BETA.)-17-HYDROXY-7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)ESTRA-1,3,5(10)-TRIEN-3-YL)BORONIC ACIDBORONIC ACID, B-((7.ALPHA.,17.BETA.)-17-HYDROXY-7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)ESTRA-1,3,5(10)-TRIEN-3-YL)-RefChem:195878SERD ZB-716ZB 716Selective Estrogen Receptor Degrader ZB716
Data from PubChem (NCBI)
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Drug Network
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