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Desamino lenalidomide-COOH

CAT: 0013-GTR19276231-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276231-01Size:50 mg
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Description
Desamino lenalidomide-COOH is an E3 ubiquitin ligase cereblon (CRBN) ligand utilized for recruiting the cereblon protein. It can be linked to a target protein ligand via a linker to form PROTAC.
CAS Number
2287259-68-9
Smiles
O=C (O) C1=CC=CC=2C (=O) N (CC12) C3C (=O) NC (=O) CC3
Molecular Formula
C14H12N2O5
Molecular Weight
288.26
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-carboxylic acid
CAS Number2287259-68-9
PubChem CID137945040
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carboxylic acid
Molecular FormulaC14H12N2O5
Molecular Weight288.25
XLogP-0.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity517
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3C(=O)O
InChI
InChI=1S/C14H12N2O5/c17-11-5-4-10(12(18)15-11)16-6-9-7(13(16)19)2-1-3-8(9)14(20)21/h1-3,10H,4-6H2,(H,20,21)(H,15,17,18)
InChIKey
SHMKKELLXFZKLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
CAS: 2287259-68-9
CID: 137945040
Formula: C14H12N2O5
MW: 288.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.25
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass288.07462149
Monoisotopic Mass288.07462149
Topological Polar Surface Area104 Ų
Heavy Atom Count21
Formal Charge0
Complexity517
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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HY-W586342Desamino lenalidomide-COOH
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HY-W586326Desamino lenalidomide-4-COOH
HY-W586325Desamino lenalidomide-5-COOH
HY-W584710Desamino lenalidomide-C2-COOH
HY-W586344Desamino lenalidomide-4-C-COOH
HY-W586332Desamino lenalidomide-6-C-COOH
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