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CRBN ligand-445

CAT: 0804-HY-W953646Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-445 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-445 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925100-15-6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=CC1=NC=NC=2C=C(C=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

7-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-4-carbaldehyde
CAS Number2925100-15-6
PubChem CID169548589
IUPAC Name7-(2,4-dioxo-1,3-diazinan-1-yl)quinazoline-4-carbaldehyde
Molecular FormulaC13H10N4O3
Molecular Weight270.24
XLogP0
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=CC3=C(C=C2)C(=NC=N3)C=O
InChI
InChI=1S/C13H10N4O3/c18-6-11-9-2-1-8(5-10(9)14-7-15-11)17-4-3-12(19)16-13(17)20/h1-2,5-7H,3-4H2,(H,16,19,20)
InChIKey
QOBRPTYYOYBDES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(2,4-Dioxo-1,3-diazinan-1-yl)quinazoline-4-carbaldehyde
CAS: 2925100-15-6
CID: 169548589
Formula: C13H10N4O3
MW: 270.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.24
XLogP30
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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