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Desamino lenalidomide-7-CO

CAT: 0013-GTR19276632-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276632-01Size:10 mg
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Description
Desamino lenalidomide-7-CO is a ligand for the E3 ubiquitin ligase cereblon (CRBN), used to recruit cereblon proteins. By attaching to a target protein ligand via a linker, Desamino lenalidomide-7-CO forms a PROTAC.
CAS Number
2642231-76-1
Smiles
O=CC1=CC=CC=2C (=O) N (CC12) C3C (=O) NC (=O) CC3
Molecular Formula
C14H12N2O4
Molecular Weight
272.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindole-4-carbaldehyde
CAS Number2642231-76-1
PubChem CID156735768
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carbaldehyde
Molecular FormulaC14H12N2O4
Molecular Weight272.26
XLogP-0.4
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity476
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C=CC=C3C2=O)C=O
InChI
InChI=1S/C14H12N2O4/c17-7-8-2-1-3-9-10(8)6-16(14(9)20)11-4-5-12(18)15-13(11)19/h1-3,7,11H,4-6H2,(H,15,18,19)
InChIKey
WCPNGVGMEFNTRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindole-4-carbaldehyde
CAS: 2642231-76-1
CID: 156735768
Formula: C14H12N2O4
MW: 272.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.26
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass272.07970687
Monoisotopic Mass272.07970687
Topological Polar Surface Area83.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity476
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

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Alternative Products

CatalogName
HY-W586343Desamino lenalidomide-7-CO
HY-W586328Desamino lenalidomide-5-CO
HY-W1115224Desamino lenalidomide-piperidine-CO
HY-W079257Desamino lenalidomide-7-F
HY-W589406Desamino lenalidomide-7-propyne
HY-W458077-01Desamino lenalidomide-7-OH
HY-W1114859Desamino lenalidomide-Pip-CO-piperazine (hydrochloride)
HY-W998267Desamino lenalidomide-Bpin
HY-W575237-01Desamino lenalidomide-NO2
HY-W458035Desamino lenalidomide-alkynes

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