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Lenalidomide hemihydrate

CAT: 0013-GTR19174015Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174015Size:25 mg
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Description
Lenalidomide hemihydrate is an oral immunomodulatory agent derived from thalidomide. It functions by binding to cereblon (CRBN), the substrate receptor of the CRL4 ubiquitin ligase complex, leading to the targeted ubiquitination and degradation of the transcription factors IKZF1 and IKZF3. This mechanism underpins its extensive use in research for hematological malignancies and immunology, both in vitro and in vivo.
CAS Number
847871-99-2
Product Name Alternative
Cereblon, Cereblon, CC-5013 hemihydrate, degradation, CRL4, Apoptosis, analog, ligand, LigandforE3Ligase, Ligand for E3 Ligase, ligase, Ligands for E3 Ligase, inhibit, myeloma, multiple, immunomodulatory, Molecular Glues, MolecularGlues, Inhibitor, IKZF1, IKZF3, Lenalidomide, Lenalidomide Hemihydrate, Lenalidomide hemihydrate, E3 ligase-recruiting Moiety, TNF-α
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
96.22% (May vary between batches)
Solubility
DMSO:Soluble
Smiles
O=C (C (N (CC1=C2C=CC=C1N) C2=O) CC3) NC3=O.O=C (C (N (CC4=C5C=CC=C4N) C5=O) CC6) NC6=O.[H]O[H]
Molecular Formula
C13H13N3O3.1/2H2O
Molecular Weight
268.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lenalidomide hemihydrate
CAS Number847871-99-2
PubChem CID46220375
IUPAC Namebis(3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione);hydrate
Molecular FormulaC26H28N6O7
Molecular Weight536.5
Topological Polar Surface Area186
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count39
Formal Charge0
Complexity437
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N.C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N.O
InChI
InChI=1S/2C13H13N3O3.H2O/c2*14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;/h2*1-3,10H,4-6,14H2,(H,15,17,18);1H2
InChIKey
OTJHSDXKMBRCMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lenalidomide hemihydrate
CAS: 847871-99-2
CID: 46220375
Formula: C26H28N6O7
MW: 536.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass536.20194725
Monoisotopic Mass536.20194725
Topological Polar Surface Area186 Ų
Heavy Atom Count39
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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