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Lenalidomide-C6-Br

CAT: 0931-T209862-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T209862-02Size:50 mg
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CAS Number
2580970-60-9
Target
E3 Ligase Ligand-Linker Conjugate
Related Pathways
PROTAC
Bioactivity
Lenalidomide-C6-Br is a conjugate of an E3 ligase ligand and a linker. It is utilized in the synthesis of PROTAC EGFR degrader 9.
Smiles
O=C1NC(=O)C(N2C(=O)C=3C=CC=C(NC(=O)CCCCCCBr)C3C2)CC1
Molecular Formula
C20H24BrN3O4
Molecular Weight
450.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lenalidomide-C6-Br
CAS Number2580970-60-9
PubChem CID155292447
IUPAC Name7-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]heptanamide
Molecular FormulaC20H24BrN3O4
Molecular Weight450.3
XLogP1.7
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity627
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NC(=O)CCCCCCBr
InChI
InChI=1S/C20H24BrN3O4/c21-11-4-2-1-3-8-17(25)22-15-7-5-6-13-14(15)12-24(20(13)28)16-9-10-18(26)23-19(16)27/h5-7,16H,1-4,8-12H2,(H,22,25)(H,23,26,27)
InChIKey
FSWUZUYVRZSKKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lenalidomide-C6-Br
CAS: 2580970-60-9
CID: 155292447
Formula: C20H24BrN3O4
MW: 450.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.3
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass449.09502
Monoisotopic Mass449.09502
Topological Polar Surface Area95.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity627
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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