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Lenalidomide-4-aminomethyl

CAT: 0931-T40897Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T40897Size:25 mg
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CAS Number
790652-68-5
Target
Others, Ligand for E3 Ligase
Related Pathways
Others, PROTAC
Bioactivity
Lenalidomide-4-aminomethyl is a CRBN ligand derived from Lenalidomide, which is utilized for the recruitment of CRBN protein. By linking Lenalidomide-4-aminomethyl to the ligand, a PROTAC can be formed.
Smiles
O=C1NC(=O)C(N2C(=O)C3=CC=CC(=C3C2)CN)CC1
Molecular Formula
C14H15N3O3
Molecular Weight
273.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-[4-(Aminomethyl)-1-oxo-isoindolin-2-yl]piperidine-2,6-dione
CAS Number790652-68-5
PubChem CID21988569
IUPAC Name3-[7-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC14H15N3O3
Molecular Weight273.29
XLogP-1
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity451
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C=CC=C3C2=O)CN
InChI
InChI=1S/C14H15N3O3/c15-6-8-2-1-3-9-10(8)7-17(14(9)20)11-4-5-12(18)16-13(11)19/h1-3,11H,4-7,15H2,(H,16,18,19)
InChIKey
LVJSNECQDVVLEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[4-(Aminomethyl)-1-oxo-isoindolin-2-yl]piperidine-2,6-dione
CAS: 790652-68-5
CID: 21988569
Formula: C14H15N3O3
MW: 273.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight273.29
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass273.11134135
Monoisotopic Mass273.11134135
Topological Polar Surface Area92.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity451
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