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CRBN ligand-656

CAT: 0804-HY-W1008860Size: 1 EachDry Ice: NoHazardous: No
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Description
CRBN ligand-656 is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. CRBN ligand-656 can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2902654-77-5
UNSPSC
12352005
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
O=CC1CCN(C2=CC=C(C=C2OC)C3C(=O)NC(=O)CC3)CC1
Molecular Formula
C18H22N2O4
Molecular Weight
330.38
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

1-[4-(2,6-Dioxopiperidin-3-yl)-2-methoxyphenyl]piperidine-4-carbaldehyde
CAS Number2902654-77-5
PubChem CID167463295
IUPAC Name1-[4-(2,6-dioxopiperidin-3-yl)-2-methoxyphenyl]piperidine-4-carbaldehyde
Molecular FormulaC18H22N2O4
Molecular Weight330.4
XLogP1.1
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity487
SMILES
COC1=C(C=CC(=C1)C2CCC(=O)NC2=O)N3CCC(CC3)C=O
InChI
InChI=1S/C18H22N2O4/c1-24-16-10-13(14-3-5-17(22)19-18(14)23)2-4-15(16)20-8-6-12(11-21)7-9-20/h2,4,10-12,14H,3,5-9H2,1H3,(H,19,22,23)
InChIKey
BAFXFOGLEDQRSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-(2,6-Dioxopiperidin-3-yl)-2-methoxyphenyl]piperidine-4-carbaldehyde
CAS: 2902654-77-5
CID: 167463295
Formula: C18H22N2O4
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass330.15795719
Monoisotopic Mass330.15795719
Topological Polar Surface Area75.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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