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CRBN ligand-453

CAT: 0804-HY-W953235Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-453 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-453 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925085-56-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=CC1=CC=C(C=2C=NN=CC12)N3C(=O)NC(=O)CC3
Molecular Formula
C13H10N4O3
Molecular Weight
270.25
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

8-(2,4-Dioxo-1,3-diazinan-1-yl)phthalazine-5-carbaldehyde
CAS Number2925085-56-7
PubChem CID169548595
IUPAC Name8-(2,4-dioxo-1,3-diazinan-1-yl)phthalazine-5-carbaldehyde
Molecular FormulaC13H10N4O3
Molecular Weight270.24
XLogP-0.8
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity428
SMILES
C1CN(C(=O)NC1=O)C2=C3C=NN=CC3=C(C=C2)C=O
InChI
InChI=1S/C13H10N4O3/c18-7-8-1-2-11(10-6-15-14-5-9(8)10)17-4-3-12(19)16-13(17)20/h1-2,5-7H,3-4H2,(H,16,19,20)
InChIKey
POZQTCXHAWDFSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(2,4-Dioxo-1,3-diazinan-1-yl)phthalazine-5-carbaldehyde
CAS: 2925085-56-7
CID: 169548595
Formula: C13H10N4O3
MW: 270.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.24
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass270.07529019
Monoisotopic Mass270.07529019
Topological Polar Surface Area92.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity428
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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