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CRBN ligand-666

CAT: 0804-HY-W953258Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-666 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-666 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925090-46-4
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=C2CNCC3
Molecular Formula
C13H15N3O2
Molecular Weight
245.28
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-(1,2,3,4-Tetrahydroisoquinolin-8-yl)-1,3-diazinane-2,4-dione
CAS Number2925090-46-4
PubChem CID169548444
IUPAC Name1-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC13H15N3O2
Molecular Weight245.28
XLogP0
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity358
SMILES
C1CNCC2=C1C=CC=C2N3CCC(=O)NC3=O
InChI
InChI=1S/C13H15N3O2/c17-12-5-7-16(13(18)15-12)11-3-1-2-9-4-6-14-8-10(9)11/h1-3,14H,4-8H2,(H,15,17,18)
InChIKey
SCZQXIBASBDNQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(1,2,3,4-Tetrahydroisoquinolin-8-yl)-1,3-diazinane-2,4-dione
CAS: 2925090-46-4
CID: 169548444
Formula: C13H15N3O2
MW: 245.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.28
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass245.116426730
Monoisotopic Mass245.116426730
Topological Polar Surface Area61.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity358
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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