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CRBN ligand-552

CAT: 0804-HY-W953631Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-552 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-552 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925100-54-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1NC(=O)CCN1C=2C=CC=3C(Br)=NN(C3C2)C
Molecular Formula
C12H11BrN4O2
Molecular Weight
323.15
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

1-(3-bromo-1-methyl-1H-indazol-6-yl)-1,3-diazinane-2,4-dione
CAS Number2925100-54-3
PubChem CID169548901
IUPAC Name1-(3-bromo-1-methylindazol-6-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H11BrN4O2
Molecular Weight323.15
XLogP1.3
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity405
SMILES
CN1C2=C(C=CC(=C2)N3CCC(=O)NC3=O)C(=N1)Br
InChI
InChI=1S/C12H11BrN4O2/c1-16-9-6-7(2-3-8(9)11(13)15-16)17-5-4-10(18)14-12(17)19/h2-3,6H,4-5H2,1H3,(H,14,18,19)
InChIKey
ONVVQKLGAWBCSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-bromo-1-methyl-1H-indazol-6-yl)-1,3-diazinane-2,4-dione
CAS: 2925100-54-3
CID: 169548901
Formula: C12H11BrN4O2
MW: 323.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.15
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass322.00654
Monoisotopic Mass322.00654
Topological Polar Surface Area67.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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