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CRBN ligand-164

CAT: 0804-HY-W898998Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W898998Size:1 Each
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Description
CRBN ligand-164 is a CRBN-type E3 ubiquitin ligase ligand that can be used to prepare PROTAC.
CAS Number
3036607-71-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C(C(C1=C(C)C=C(Br)C=C1C)CC2)NC2=O
Molecular Formula
C13H14BrNO2
Molecular Weight
296.16
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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-2,6-dimethylphenyl)piperidine-2,6-dione
CAS Number3036607-71-0
PubChem CID171540820
IUPAC Name3-(4-bromo-2,6-dimethylphenyl)piperidine-2,6-dione
Molecular FormulaC13H14BrNO2
Molecular Weight296.16
XLogP2.4
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity319
SMILES
CC1=CC(=CC(=C1C2CCC(=O)NC2=O)C)Br
InChI
InChI=1S/C13H14BrNO2/c1-7-5-9(14)6-8(2)12(7)10-3-4-11(16)15-13(10)17/h5-6,10H,3-4H2,1-2H3,(H,15,16,17)
InChIKey
BWDALGJZJDHJJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Bromo-2,6-dimethylphenyl)piperidine-2,6-dione
CAS: 3036607-71-0
CID: 171540820
Formula: C13H14BrNO2
MW: 296.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.16
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass295.02079
Monoisotopic Mass295.02079
Topological Polar Surface Area46.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity319
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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