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CRBN ligand-600

CAT: 0804-HY-W952845Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-600 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-600 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925073-26-1
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=C1NC(=O)CCN1C=2C=CC=3C=NN(C3C2)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-[1-(2-aminoethyl)-1H-indazol-6-yl]-1,3-diazinane-2,4-dione
CAS Number2925073-26-1
PubChem CID169548663
IUPAC Name1-[1-(2-aminoethyl)indazol-6-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=CC3=C(C=C2)C=NN3CCN
InChI
InChI=1S/C13H15N5O2/c14-4-6-18-11-7-10(2-1-9(11)8-15-18)17-5-3-12(19)16-13(17)20/h1-2,7-8H,3-6,14H2,(H,16,19,20)
InChIKey
KRILHEJTXOELCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[1-(2-aminoethyl)-1H-indazol-6-yl]-1,3-diazinane-2,4-dione
CAS: 2925073-26-1
CID: 169548663
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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