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(3S) Lenalidomide-5-Br

CAT: 0804-HY-W797329Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W797329Size:1 Each
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Description
(3S) Lenalidomide-5-Br is a ligand for E3 ubiquitinase. (3S) Lenalidomide-5-Br can be used to synthesize PROTAC Cbl-b-IN-1.
CAS Number
2829898-76-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ligands for E3 Ligase
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/3s-lenalidomide-5-br.html
Smiles
O=C1N([C@@H]2C(NC(CC2)=O)=O)CC3=CC(Br)=CC=C31
Molecular Formula
C13H11BrN2O3
Molecular Weight
323.15
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Preparation of imidazopyridine derivatives for treating disorders. World Intellectual Property Organization, WO2024077244 A1. 2024-04-11.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

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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