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CRBN ligand-559

CAT: 0804-HY-W953591Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-559 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-559 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925096-31-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1NC(=O)CCN1C2=CC3=NN(C=C3C(N)=C2)C
Molecular Formula
C12H13N5O2
Molecular Weight
259.27
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-(4-amino-2-methyl-2H-indazol-6-yl)-1,3-diazinane-2,4-dione
CAS Number2925096-31-5
PubChem CID169548535
IUPAC Name1-(4-amino-2-methylindazol-6-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H13N5O2
Molecular Weight259.26
XLogP-0.4
Topological Polar Surface Area93.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity402
SMILES
CN1C=C2C(=CC(=CC2=N1)N3CCC(=O)NC3=O)N
InChI
InChI=1S/C12H13N5O2/c1-16-6-8-9(13)4-7(5-10(8)15-16)17-3-2-11(18)14-12(17)19/h4-6H,2-3,13H2,1H3,(H,14,18,19)
InChIKey
BGDINHCHVLLWMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-amino-2-methyl-2H-indazol-6-yl)-1,3-diazinane-2,4-dione
CAS: 2925096-31-5
CID: 169548535
Formula: C12H13N5O2
MW: 259.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.26
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass259.10692467
Monoisotopic Mass259.10692467
Topological Polar Surface Area93.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity402
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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