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CRBN ligand-392

CAT: 0804-HY-W886321Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-392 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-392 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2789680-40-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
Cl.O=C1NC(=O)C(C=2C=CC=C(C2)N3CCNCC3)CC1
Molecular Formula
C15H20ClN3O2
Molecular Weight
309.79
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

3-(3-(Piperazin-1-yl)phenyl)piperidine-2,6-dione hydrochloride
CAS Number2789680-40-4
PubChem CID168901928
IUPAC Name3-(3-piperazin-1-ylphenyl)piperidine-2,6-dione;hydrochloride
Molecular FormulaC15H20ClN3O2
Molecular Weight309.79
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity379
SMILES
C1CC(=O)NC(=O)C1C2=CC(=CC=C2)N3CCNCC3.Cl
InChI
InChI=1S/C15H19N3O2.ClH/c19-14-5-4-13(15(20)17-14)11-2-1-3-12(10-11)18-8-6-16-7-9-18;/h1-3,10,13,16H,4-9H2,(H,17,19,20);1H
InChIKey
ZCZWNSOAUFBUEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-(Piperazin-1-yl)phenyl)piperidine-2,6-dione hydrochloride
CAS: 2789680-40-4
CID: 168901928
Formula: C15H20ClN3O2
MW: 309.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.79
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass309.1244046
Monoisotopic Mass309.1244046
Topological Polar Surface Area61.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity379
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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