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CRBN ligand-513

CAT: 0804-HY-W953112Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-513 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-513 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925082-45-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=CC1=CC(=CC=2C=NNC12)N3C(=O)NC(=O)CC3
Molecular Formula
C12H10N4O3
Molecular Weight
258.24
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-indazole-7-carbaldehyde
CAS Number2925082-45-5
PubChem CID169548518
IUPAC Name5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-7-carbaldehyde
Molecular FormulaC12H10N4O3
Molecular Weight258.23
XLogP-0.3
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity414
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(C(=C2)C=O)NN=C3
InChI
InChI=1S/C12H10N4O3/c17-6-8-4-9(3-7-5-13-15-11(7)8)16-2-1-10(18)14-12(16)19/h3-6H,1-2H2,(H,13,15)(H,14,18,19)
InChIKey
PIOLOUUYRRJKPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazole-7-carbaldehyde
CAS: 2925082-45-5
CID: 169548518
Formula: C12H10N4O3
MW: 258.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.23
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass258.07529019
Monoisotopic Mass258.07529019
Topological Polar Surface Area95.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity414
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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