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CRBN ligand-76

CAT: 0804-HY-170127Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-76 is a CRBN-type E3 ubiquitin ligase ligand that can be used to prepare PROTAC.
CAS Number
3065251-82-0
UNSPSC
12352005
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
BrC1=CC(F)=C(C2C(NC(CC2)=O)=O)C=C1F
Molecular Formula
C11H8BrF2NO2
Molecular Weight
304.09
References & Citations
[1]Miletić N, et al. Workflow for E3 Ligase Ligand Validation for PROTAC Development. ACS Chem Biol. 2025 Feb 21;20 (2) :507-521.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

3-(4-Bromo-2,5-difluorophenyl)piperidine-2,6-dione
CAS Number3065251-82-0
PubChem CID176455454
IUPAC Name3-(4-bromo-2,5-difluorophenyl)piperidine-2,6-dione
Molecular FormulaC11H8BrF2NO2
Molecular Weight304.09
XLogP1.9
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity339
SMILES
C1CC(=O)NC(=O)C1C2=CC(=C(C=C2F)Br)F
InChI
InChI=1S/C11H8BrF2NO2/c12-7-4-8(13)6(3-9(7)14)5-1-2-10(16)15-11(5)17/h3-5H,1-2H2,(H,15,16,17)
InChIKey
VKVPSDARJCGSNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Bromo-2,5-difluorophenyl)piperidine-2,6-dione
CAS: 3065251-82-0
CID: 176455454
Formula: C11H8BrF2NO2
MW: 304.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.09
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass302.97065
Monoisotopic Mass302.97065
Topological Polar Surface Area46.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity339
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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