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CRBN ligand-181

CAT: 0013-GTR19249532-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249532-01Size:50 mg
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Description
CRBN ligand-181 is a cereblon (CRBN) -directed ligand designed for constructing PROTAC molecules. It facilitates targeted protein degradation and is widely used in both in vitro and in vivo cancer research to study novel therapeutic strategies.
CAS Number
3036607-12-9
Field of Research
Cancer Biology, Pharmacology & Drug Discovery
Smiles
O=C1NC (=O) C (C=2C (F) =CC (Br) =CC2C) CC1
Molecular Formula
C12H11BrFNO2
Molecular Weight
300.124
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(4-Bromo-2-fluoro-6-methylphenyl)piperidine-2,6-dione
CAS Number3036607-12-9
PubChem CID171541149
IUPAC Name3-(4-bromo-2-fluoro-6-methylphenyl)piperidine-2,6-dione
Molecular FormulaC12H11BrFNO2
Molecular Weight300.12
XLogP2.2
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity336
SMILES
CC1=CC(=CC(=C1C2CCC(=O)NC2=O)F)Br
InChI
InChI=1S/C12H11BrFNO2/c1-6-4-7(13)5-9(14)11(6)8-2-3-10(16)15-12(8)17/h4-5,8H,2-3H2,1H3,(H,15,16,17)
InChIKey
MQDQMZNHZMIHON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Bromo-2-fluoro-6-methylphenyl)piperidine-2,6-dione
CAS: 3036607-12-9
CID: 171541149
Formula: C12H11BrFNO2
MW: 300.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.12
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass298.99572
Monoisotopic Mass298.99572
Topological Polar Surface Area46.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity336
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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