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CRBN ligand-550

CAT: 0804-HY-W953745Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-550 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-550 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925102-47-0
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=CC=2C(N1)=CC=CC2N3C(=O)NC(=O)CC3
Molecular Formula
C13H10N4O4
Molecular Weight
286.25
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

5-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-2-carboxylic acid
CAS Number2925102-47-0
PubChem CID169548738
IUPAC Name5-(2,4-dioxo-1,3-diazinan-1-yl)quinazoline-2-carboxylic acid
Molecular FormulaC13H10N4O4
Molecular Weight286.24
XLogP0.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity469
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC3=NC(=NC=C32)C(=O)O
InChI
InChI=1S/C13H10N4O4/c18-10-4-5-17(13(21)16-10)9-3-1-2-8-7(9)6-14-11(15-8)12(19)20/h1-3,6H,4-5H2,(H,19,20)(H,16,18,21)
InChIKey
VAXWFIQCKKIAJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-2-carboxylic acid
CAS: 2925102-47-0
CID: 169548738
Formula: C13H10N4O4
MW: 286.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.24
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass286.07020481
Monoisotopic Mass286.07020481
Topological Polar Surface Area112 Ų
Heavy Atom Count21
Formal Charge0
Complexity469
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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