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ZB716

CAT: 0926-DZC27929-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-DZC27929-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1853279-29-4
Smiles
B (C1=CC2=C (C=C1) C3CCC4 (C (C3C (C2) CCCCCCCCCS (=O) CCCC (C (F) (F) F) (F) F) CCC4O) C) (O) O
Molecular Formula
C32H48BF5O4S
Molecular Weight
634.6 g/mol
Controlled
No

Chemical Information

Zb-716

SERD ZB-716 is an orally bioavailable selective estrogen receptor degrader/downregulator (SERD) and a structural analog of fulvestrant, with potential antineoplastic activity. Upon oral administration, SERD ZB-716 specifically targets and binds to the estrogen receptor (ER) and induces a conformational change that promotes ER degradation. This prevents ER-mediated signaling and inhibits both the growth and survival of ER-expressing cancer cells.

CAS Number1853279-29-4
PubChem CID126480615
IUPAC Name[(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 FormulaC32H48BF5O4S
Molecular Weight634.6
Topological Polar Surface Area97
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count43
Formal Charge0
Complexity907
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)O
InChI
InChI=1S/C32H48BF5O4S/c1-30-17-15-26-25-12-11-24(33(40)41)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-43(42)19-9-16-31(34,35)32(36,37)38/h11-12,21-22,26-29,39-41H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,43?/m1/s1
InChIKey
FIAYIYKWRBIBQG-GDWZZRAASA-N
Chemical Structure
2D Structure
2D structure of Zb-716
CAS: 1853279-29-4
CID: 126480615
Formula: C32H48BF5O4S
MW: 634.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass634.3286522
Monoisotopic Mass634.3286522
Topological Polar Surface Area97 Ų
Heavy Atom Count43
Formal Charge0
Complexity907
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19154031ZB716 (Fulvestrant-3 Boronic Acid)

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