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Lenalidomide-COCH-PEG2-azido

CAT: 0804-HY-163647Size: 1 EachDry Ice: NoHazardous: No
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Description
Lenalidomide-COCH-PEG2-azido is a synthesized E3 ligase ligand-linker conjugate that incorporates the Lenalidomide based cereblon ligand and a linker. Lenalidomide-COCH-PEG2-azido can be used in the synthesis of PROTAC AKR1C3 degrader-1 (HY-163609).
CAS Number
2380273-88-9
UNSPSC
12352005
Target
E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/lenalidomide-coch-peg2-azido.html
Smiles
[N-]=[N+]=NCCOCCOCC(NC1=CC=CC2=C1CN(C3C(NC(CC3)=O)=O)C2=O)=O
Molecular Formula
C19H22N6O6
Molecular Weight
430.41
References & Citations
[1]Carmona AV, et al. Discovery of an Aldo-Keto reductase 1C3 (AKR1C3) degrader. Commun Chem. 2024 Apr 29;7 (1) :95.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Lenalidomide-COCH-PEG2-azido
CAS Number2380273-88-9
PubChem CID155292335
IUPAC Name2-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
Molecular FormulaC19H22N6O6
Molecular Weight430.4
XLogP0
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity754
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NC(=O)COCCOCCN=[N+]=[N-]
InChI
InChI=1S/C19H22N6O6/c20-24-21-6-7-30-8-9-31-11-17(27)22-14-3-1-2-12-13(14)10-25(19(12)29)15-4-5-16(26)23-18(15)28/h1-3,15H,4-11H2,(H,22,27)(H,23,26,28)
InChIKey
NWZWXZLHKQMWFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lenalidomide-COCH-PEG2-azido
CAS: 2380273-88-9
CID: 155292335
Formula: C19H22N6O6
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass430.16008244
Monoisotopic Mass430.16008244
Topological Polar Surface Area128 Ų
Heavy Atom Count31
Formal Charge0
Complexity754
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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Alternative Products

CatalogName
T209887-01Lenalidomide-COCH-PEG2-azido
T36258Lenalidomide 4'-PEG2-amine
T84908-01Lenalidomide 4'-PEG2-azide
T17492-01Azido-PEG2-azide
T82928-01Azido-PEG2-VHL
572454Azido-PEG2-alcohol
571840Azido-PEG2-amine
MBS5799243Azido-PEG2-propargyl
BIPG1148-01Azido-PEG2-CH2CO2tBu
572730Azido-PEG2-CH2CO2H

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