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CRBN ligand-396

CAT: 0804-HY-W998287Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-396 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-396 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2446913-98-8
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=C(C=C2)C3CCNCC3
Molecular Formula
C15H19N3O2
Molecular Weight
273.34
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-[4-(4-Piperidyl)phenyl]hexahydropyrimidine-2,4-dione
CAS Number2446913-98-8
PubChem CID153622970
IUPAC Name1-(4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione
Molecular FormulaC15H19N3O2
Molecular Weight273.33
XLogP0.7
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity371
SMILES
C1CNCCC1C2=CC=C(C=C2)N3CCC(=O)NC3=O
InChI
InChI=1S/C15H19N3O2/c19-14-7-10-18(15(20)17-14)13-3-1-11(2-4-13)12-5-8-16-9-6-12/h1-4,12,16H,5-10H2,(H,17,19,20)
InChIKey
NFGNPHVMGPKQKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-(4-Piperidyl)phenyl]hexahydropyrimidine-2,4-dione
CAS: 2446913-98-8
CID: 153622970
Formula: C15H19N3O2
MW: 273.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.33
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass273.147726857
Monoisotopic Mass273.147726857
Topological Polar Surface Area61.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity371
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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