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Lenalidomide 4'-alkyl-C3-azide

CAT: 0931-T84909-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84909-01Size:10 mg
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CAS Number
2399455-71-9
Target
Others, E3 Ligase Ligand-Linker Conjugate
Related Pathways
Others, PROTAC
Bioactivity
Lenalidomide 4'-alkyl-C3-azide (compound 4a), a chemically modified version of the orally active immunomodulator lenalidomide, is engineered for the synthesis of PROTACs. This compound, serving as a ligand for the ubiquitin E3 ligase cereblon (CRBN), integrates an Azide group, enabling it to participate in copper-catalyzed azide-alkyne cycloaddition reactions (CuAAc) with alkyne-bearing molecules. Additionally, it can undergo strain-promoted alkyne-azide cycloaddition reactions (SPAAC) with molecules containing DBCO or BCN groups [1].
Smiles
N(CCCN=[N+]=[N-])C1=C2C(C(=O)N(C2)C3C(=O)NC(=O)CC3)=CC=C1
Molecular Formula
C16H18N6O3
Molecular Weight
342.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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HY-161131Lenalidomide 4'-alkyl-C3-azide
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7516/25Lenalidomide 4'-alkylC3-azide
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7517/25Lenalidomide 4'-alkylC5-azide
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