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CRBN ligand-596

CAT: 0804-HY-W952785Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-596 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-596 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925075-27-8
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=CC=CC3=CN(N=C32)CCN
Molecular Formula
C13H15N5O2
Molecular Weight
273.30
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-[2-(2-aminoethyl)-2H-indazol-7-yl]-1,3-diazinane-2,4-dione
CAS Number2925075-27-8
PubChem CID169548661
IUPAC Name1-[2-(2-aminoethyl)indazol-7-yl]-1,3-diazinane-2,4-dione
Molecular FormulaC13H15N5O2
Molecular Weight273.29
XLogP-0.8
Topological Polar Surface Area93.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity402
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC3=CN(N=C32)CCN
InChI
InChI=1S/C13H15N5O2/c14-5-7-17-8-9-2-1-3-10(12(9)16-17)18-6-4-11(19)15-13(18)20/h1-3,8H,4-7,14H2,(H,15,19,20)
InChIKey
WIYXWORNJVVVDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-(2-aminoethyl)-2H-indazol-7-yl]-1,3-diazinane-2,4-dione
CAS: 2925075-27-8
CID: 169548661
Formula: C13H15N5O2
MW: 273.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.29
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass273.12257474
Monoisotopic Mass273.12257474
Topological Polar Surface Area93.3 Ų
Heavy Atom Count20
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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