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(3S) Lenalidomide-5-Br

CAT: 0013-GTR19239053-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239053-02Size:10 mg
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Description
(3S) Lenalidomide-5-Br is a cereblon E3 ligase ligand used to construct PROTAC molecules, such as PROTACCbl-b-IN-1. This compound enables targeted protein degradation, a key technique for studying protein function in cancer and disease research both in vitro and in vivo.
CAS Number
2829898-76-0
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1N (CC=2C1=CC=C (Br) C2) [C@@H]3C (=O) NC (=O) CC3
Molecular Formula
C13H11BrN2O3
Molecular Weight
323.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-3-(5-Bromo-1-oxoisoindolin-2-yl)piperidine-2,6-dione
CAS Number2829898-76-0
PubChem CID154703389
IUPAC Name(3S)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Molecular FormulaC13H11BrN2O3
Molecular Weight323.14
XLogP0.9
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity440
SMILES
C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC(=C3)Br
InChI
InChI=1S/C13H11BrN2O3/c14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6H2,(H,15,17,18)/t10-/m0/s1
InChIKey
CMRQAKJTXKOGSF-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of (S)-3-(5-Bromo-1-oxoisoindolin-2-yl)piperidine-2,6-dione
CAS: 2829898-76-0
CID: 154703389
Formula: C13H11BrN2O3
MW: 323.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.14
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass321.99530
Monoisotopic Mass321.99530
Topological Polar Surface Area66.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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