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Lenalidomide 4'-alkyl-C5-azide

CAT: 0804-HY-161132-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-161132-01Size:10 mg
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Description
Lenalidomide 4'-alkyl-C5-azide is a functionalized cerebellar ligand for PROTAC development that contains an E3 ligand and an alkyl LC5 ligand with terminal azides that can be coupled to a target protein ligand[1].
CAS Number
2399455-78-6
UNSPSC
12352005
Target
E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
PROTAC
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/lenalidomide-4-alkyl-c5-azide.html
Solubility
10 mM in DMSO
Smiles
[N-]=[N+]=NCCCCCNC1=CC=CC2=C1CN(C3C(NC(CC3)=O)=O)C2=O
Molecular Formula
C18H22N6O3
Molecular Weight
370.41
References & Citations
[1]Liu H, et al. Construction of an IMiD-based azide library as a kit for PROTAC research. Org Biomol Chem. 2021 Jan 6;19 (1) :166-170.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Lenalidomide 4'-alkyl-C5-azide
CAS Number2399455-78-6
PubChem CID151825887
IUPAC Name3-[7-(5-azidopentylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC18H22N6O3
Molecular Weight370.4
XLogP2.1
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity633
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NCCCCCN=[N+]=[N-]
InChI
InChI=1S/C18H22N6O3/c19-23-21-10-3-1-2-9-20-14-6-4-5-12-13(14)11-24(18(12)27)15-7-8-16(25)22-17(15)26/h4-6,15,20H,1-3,7-11H2,(H,22,25,26)
InChIKey
SDPGTOOVIBSDST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lenalidomide 4'-alkyl-C5-azide
CAS: 2399455-78-6
CID: 151825887
Formula: C18H22N6O3
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass370.17533859
Monoisotopic Mass370.17533859
Topological Polar Surface Area92.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity633
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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