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CRBN ligand-668

CAT: 0804-HY-W953217Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-668 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-668 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925086-04-8
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=CC3=CN(N=C3C2)CCO
Molecular Formula
C13H14N4O3
Molecular Weight
274.28
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-[2-(2-hydroxyethyl)-2H-indazol-6-yl]-1,3-diazinane-2,4-dione
CAS Number2925086-04-8
PubChem CID169548676
IUPAC Name1-[2-(2-hydroxyethyl)indazol-6-yl]-1,3-diazinane-2,4-dione
Molecular FormulaC13H14N4O3
Molecular Weight274.28
XLogP-0.5
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity403
SMILES
C1CN(C(=O)NC1=O)C2=CC3=NN(C=C3C=C2)CCO
InChI
InChI=1S/C13H14N4O3/c18-6-5-16-8-9-1-2-10(7-11(9)15-16)17-4-3-12(19)14-13(17)20/h1-2,7-8,18H,3-6H2,(H,14,19,20)
InChIKey
LGJOGSBLORBPGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-(2-hydroxyethyl)-2H-indazol-6-yl]-1,3-diazinane-2,4-dione
CAS: 2925086-04-8
CID: 169548676
Formula: C13H14N4O3
MW: 274.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.28
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass274.10659032
Monoisotopic Mass274.10659032
Topological Polar Surface Area87.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity403
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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