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Lenalidomide 4'-alkyl-C3-azide

CAT: 0804-HY-161131Size: 1 EachDry Ice: NoHazardous: No
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Description
Lenalidomide 4'-alkyl-C3-azide (compound 4a) is a click chemical modified Lenalidomide that can be used to synthesize PROTACs. Lenalidomide is an orally active immunomodulator and a ligand for the ubiquitin E3 ligase cereblon (CRBN). Lenalidomide 4'-alkyl-C3-azide contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition reactions (SPAAC) can also occur with molecules containing DBCO or BCN groups[1].
CAS Number
2399455-71-9
UNSPSC
12352005
Target
E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
PROTAC
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/lenalidomide-4-alkyl-c3-azide.html
Solubility
10 mM in DMSO
Smiles
[N-]=[N+]=NCCCNC1=CC=CC2=C1CN(C3C(NC(CC3)=O)=O)C2=O
Molecular Formula
C16H18N6O3
Molecular Weight
342.35
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-C3-azide
CAS Number2399455-71-9
PubChem CID149837998
IUPAC Name3-[7-(3-azidopropylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC16H18N6O3
Molecular Weight342.35
XLogP1.4
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity603
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NCCCN=[N+]=[N-]
InChI
InChI=1S/C16H18N6O3/c17-21-19-8-2-7-18-12-4-1-3-10-11(12)9-22(16(10)25)13-5-6-14(23)20-15(13)24/h1,3-4,13,18H,2,5-9H2,(H,20,23,24)
InChIKey
BUOALKMQQKQMCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lenalidomide 4'-alkyl-C3-azide
CAS: 2399455-71-9
CID: 149837998
Formula: C16H18N6O3
MW: 342.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.35
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass342.14403846
Monoisotopic Mass342.14403846
Topological Polar Surface Area92.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity603
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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