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Lenalidomide-5-bromopentanamide

CAT: 0804-HY-161675Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-161675Size:1 Each
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Description
Lenalidomide-5-bromopentanamide is an E3 ligase ligand-linker conjugate in PROTAC ATR degrader-2 , and consists of a CRBN ligand Lenalidomide (HY-A0003) and a linker 5-Bromopentanoyl chloride (HY-43538). Lenalidomide-5-bromopentanamidecan be used for synthesis of PROTACs[1].
CAS Number
2545963-24-2
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-5-bromopentanamide.html
Smiles
BrCCCCC(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)=O
Molecular Formula
C18H20BrN3O4
Molecular Weight
422.27
References & Citations
[1]Wang Y, et al. Discovery of Selective and Potent ATR Degrader for Exploration its Kinase-Independent Functions in Acute Myeloid Leukemia Cells. Angew Chem Int Ed Engl. 2024 Apr 22;63 (17) :e202318568.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Lenalidomide-5-bromopentanamide
CAS Number2545963-24-2
PubChem CID155292445
IUPAC Name5-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide
Molecular FormulaC18H20BrN3O4
Molecular Weight422.3
XLogP0.8
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity597
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NC(=O)CCCCBr
InChI
InChI=1S/C18H20BrN3O4/c19-9-2-1-6-15(23)20-13-5-3-4-11-12(13)10-22(18(11)26)14-7-8-16(24)21-17(14)25/h3-5,14H,1-2,6-10H2,(H,20,23)(H,21,24,25)
InChIKey
ACCSPOFIPHGKAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lenalidomide-5-bromopentanamide
CAS: 2545963-24-2
CID: 155292445
Formula: C18H20BrN3O4
MW: 422.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.3
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass421.06372
Monoisotopic Mass421.06372
Topological Polar Surface Area95.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity597
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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