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Lenalidomide 5'-piperazine

CAT: 0804-HY-163233Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-163233Size:1 Each
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Description
Lenalidomide 5'-piperazine can serve as a Cereblon ligand to recruit CRBN protein. Lenalidomide 5'-piperazine can be linked to target protein ligands via a linker to form PROTAC molecules, such as KI-CDK9d-32.
CAS Number
2222120-30-9
UNSPSC
12352005
Target
Ligands for E3 Ligase
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/phthalimidinoglutarimide-5-piperazine.html
Solubility
10 mM in DMSO
Smiles
O=C1NC(C(CC1)N2C(C3=CC=C(N4CCNCC4)C=C3C2)=O)=O
Molecular Formula
C17H20N4O3
Molecular Weight
328.37
References & Citations
[1]Toure MA, et al. Targeted degradation of CDK9 potently disrupts the MYC-regulated network. Cell Chem Biol. 2025 Apr 17;32 (4) :542-555.e10.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

3-(1-Oxo-5-piperazin-1-ylisoindolin-2-yl)piperidine-2,6-dione
CAS Number2222120-30-9
PubChem CID134413710
IUPAC Name3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
Molecular FormulaC17H20N4O3
Molecular Weight328.4
XLogP-0.4
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity546
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)N4CCNCC4
InChI
InChI=1S/C17H20N4O3/c22-15-4-3-14(16(23)19-15)21-10-11-9-12(1-2-13(11)17(21)24)20-7-5-18-6-8-20/h1-2,9,14,18H,3-8,10H2,(H,19,22,23)
InChIKey
YTKVMOBHMCOGHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1-Oxo-5-piperazin-1-ylisoindolin-2-yl)piperidine-2,6-dione
CAS: 2222120-30-9
CID: 134413710
Formula: C17H20N4O3
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass328.15354051
Monoisotopic Mass328.15354051
Topological Polar Surface Area81.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity546
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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