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Lenalidomide-C4-NH2 hydrochloride

CAT: 0013-GTR19225601-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225601-01Size:10 mg
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Description
Lenalidomide-C4-NH2 hydrochloride is a Cereblon (CRBN) -binding ligand used to construct PROTAC degraders. This recruiting moiety, exemplified in compounds like PROTAC 24, has demonstrated potent in vitro anti-proliferative activity in acute leukemia cell models such as RS4;11 and MOLM-13.
CAS Number
2435715-90-3
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (C (N (CC1=C2C=CC=C1CCCCN) C2=O) CC3) NC3=O.Cl
Molecular Formula
C17H22ClN3O3
Molecular Weight
351.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lenalidomide-C4-NH2 (hydrochloride)
CAS Number2435715-90-3
PubChem CID138377587
IUPAC Name3-[7-(4-aminobutyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
Molecular FormulaC17H22ClN3O3
Molecular Weight351.8
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity493
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C=CC=C3C2=O)CCCCN.Cl
InChI
InChI=1S/C17H21N3O3.ClH/c18-9-2-1-4-11-5-3-6-12-13(11)10-20(17(12)23)14-7-8-15(21)19-16(14)22;/h3,5-6,14H,1-2,4,7-10,18H2,(H,19,21,22);1H
InChIKey
QPGHLNCBGNJWKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lenalidomide-C4-NH2 (hydrochloride)
CAS: 2435715-90-3
CID: 138377587
Formula: C17H22ClN3O3
MW: 351.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass351.1349693
Monoisotopic Mass351.1349693
Topological Polar Surface Area92.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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