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Details

Stereochemistry EPIMERIC
Molecular Formula C32H48BF5O4S
Molecular Weight 634.589
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZB-716

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(C=C4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]23[H])B(O)O

InChI

InChIKey=FIAYIYKWRBIBQG-GDWZZRAASA-N
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

HIDE SMILES / InChI

Molecular Formula C32H48BF5O4S
Molecular Weight 634.589
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 22:22:37 UTC 2023
Edited
by admin
on Thu Jul 06 22:22:37 UTC 2023
Record UNII
E35ZN95LMT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZB-716
Common Name English
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 ACID
Systematic Name English
BORONIC 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)-
Systematic Name English
ZB716
Common Name English
FULVESTRANT-3-BORONIC ACID
Common Name English
Code System Code Type Description
FDA UNII
E35ZN95LMT
Created by admin on Thu Jul 06 22:22:37 UTC 2023 , Edited by admin on Thu Jul 06 22:22:37 UTC 2023
PRIMARY
WIKIPEDIA
ZB716
Created by admin on Thu Jul 06 22:22:37 UTC 2023 , Edited by admin on Thu Jul 06 22:22:37 UTC 2023
PRIMARY
CAS
1853279-29-4
Created by admin on Thu Jul 06 22:22:37 UTC 2023 , Edited by admin on Thu Jul 06 22:22:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID601107524
Created by admin on Thu Jul 06 22:22:37 UTC 2023 , Edited by admin on Thu Jul 06 22:22:37 UTC 2023
PRIMARY
PUBCHEM
126480615
Created by admin on Thu Jul 06 22:22:37 UTC 2023 , Edited by admin on Thu Jul 06 22:22:37 UTC 2023
PRIMARY
NCI_THESAURUS
C179265
Created by admin on Thu Jul 06 22:22:37 UTC 2023 , Edited by admin on Thu Jul 06 22:22:37 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
In vitro and in vivo pharmacological studies of ZB716 demonstrate it is a pure antagonist of the ER. It binds to the ER and degrades the protein in a dose-dependent manner.
IN-VITRO, IN-VIVO
TARGET->DEGRADER
Related Record Type Details
METABOLITE ACTIVE -> PARENT
Related Record Type Details
ACTIVE MOIETY