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CRBN ligand-796

CAT: 0804-HY-W998276Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-796 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-796 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2573307-29-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1N(C=2C(N1C)=CC=C(Br)C2)[C@@H]3C(=O)NC(=O)CC3
Molecular Formula
C13H12BrN3O3
Molecular Weight
338.16
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

3-(6-Bromo-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidine-2,6-dione
CAS Number2573307-29-4
PubChem CID146598602
IUPAC Name3-(6-bromo-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16
XLogP0.8
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity470
SMILES
CN1C2=C(C=C(C=C2)Br)N(C1=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C13H12BrN3O3/c1-16-8-3-2-7(14)6-10(8)17(13(16)20)9-4-5-11(18)15-12(9)19/h2-3,6,9H,4-5H2,1H3,(H,15,18,19)
InChIKey
MMXFKXPMTHPRIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(6-Bromo-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidine-2,6-dione
CAS: 2573307-29-4
CID: 146598602
Formula: C13H12BrN3O3
MW: 338.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.16
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass337.00620
Monoisotopic Mass337.00620
Topological Polar Surface Area69.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity470
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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