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CRBN ligand-535

CAT: 0804-HY-W953712Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-535 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-535 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925097-88-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Smiles
O=C(O)C1=CC=2C=C(C=CC2N1)N3C(=O)NC(=O)CC3
Molecular Formula
C13H11N3O4
Molecular Weight
273.25
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)-1H-indole-2-carboxylic acid
CAS Number2925097-88-5
PubChem CID169548647
IUPAC Name5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indole-2-carboxylic acid
Molecular FormulaC13H11N3O4
Molecular Weight273.24
XLogP0.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity453
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(C=C2)NC(=C3)C(=O)O
InChI
InChI=1S/C13H11N3O4/c17-11-3-4-16(13(20)15-11)8-1-2-9-7(5-8)6-10(14-9)12(18)19/h1-2,5-6,14H,3-4H2,(H,18,19)(H,15,17,20)
InChIKey
AYEKRRCMEGIPMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indole-2-carboxylic acid
CAS: 2925097-88-5
CID: 169548647
Formula: C13H11N3O4
MW: 273.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.24
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass273.07495584
Monoisotopic Mass273.07495584
Topological Polar Surface Area103 Ų
Heavy Atom Count20
Formal Charge0
Complexity453
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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