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CRBN ligand-374

CAT: 0804-HY-W952970Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-374 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-374 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925081-22-5
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=C(N)C=C3C=CN=CC32
Molecular Formula
C13H12N4O2
Molecular Weight
256.27
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-(6-Aminoisoquinolin-8-yl)-1,3-diazinane-2,4-dione
CAS Number2925081-22-5
PubChem CID169548464
IUPAC Name1-(6-aminoisoquinolin-8-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC13H12N4O2
Molecular Weight256.26
XLogP0.1
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity387
SMILES
C1CN(C(=O)NC1=O)C2=C3C=NC=CC3=CC(=C2)N
InChI
InChI=1S/C13H12N4O2/c14-9-5-8-1-3-15-7-10(8)11(6-9)17-4-2-12(18)16-13(17)19/h1,3,5-7H,2,4,14H2,(H,16,18,19)
InChIKey
MTEINWWGJIHKPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(6-Aminoisoquinolin-8-yl)-1,3-diazinane-2,4-dione
CAS: 2925081-22-5
CID: 169548464
Formula: C13H12N4O2
MW: 256.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.26
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass256.09602564
Monoisotopic Mass256.09602564
Topological Polar Surface Area88.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity387
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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