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CRBN ligand-520

CAT: 0804-HY-W952890Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-520 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-520 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925077-64-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C(O)C=1N=C2C(C=CC=C2N3C(=O)NC(=O)CC3)=CC1
Molecular Formula
C14H11N3O4
Molecular Weight
285.26
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

8-(2,4-Dioxo-1,3-diazinan-1-yl)quinoline-2-carboxylic acid
CAS Number2925077-64-9
PubChem CID169548711
IUPAC Name8-(2,4-dioxo-1,3-diazinan-1-yl)quinoline-2-carboxylic acid
Molecular FormulaC14H11N3O4
Molecular Weight285.25
XLogP0.7
Topological Polar Surface Area99.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity467
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC3=C2N=C(C=C3)C(=O)O
InChI
InChI=1S/C14H11N3O4/c18-11-6-7-17(14(21)16-11)10-3-1-2-8-4-5-9(13(19)20)15-12(8)10/h1-5H,6-7H2,(H,19,20)(H,16,18,21)
InChIKey
CIULEYHSIKPNFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(2,4-Dioxo-1,3-diazinan-1-yl)quinoline-2-carboxylic acid
CAS: 2925077-64-9
CID: 169548711
Formula: C14H11N3O4
MW: 285.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.25
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass285.07495584
Monoisotopic Mass285.07495584
Topological Polar Surface Area99.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity467
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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