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8-Hydroxyoctanoic acid-thalidomide

CAT: 0013-GTR19239220-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239220-02Size:10 mg
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Description
This conjugate, which combines an 8-hydroxyoctanoic acid linker with a thalidomide-based E3 ligase ligand, is a key chemical component for constructing PROTAC molecules like Lw13. It is used in biochemical research to study targeted protein degradation in both cellular and in vivo experimental models.
CAS Number
2399454-65-8
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (O) CCCCCCCNC1=CC=CC=2C (=O) N (CC12) C3C (=O) NC (=O) CC3
Molecular Formula
C21H27N3O5
Molecular Weight
401.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-Hydroxyoctanoic acid-thalidomide
CAS Number2399454-65-8
PubChem CID150903709
IUPAC Name8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoic acid
Molecular FormulaC21H27N3O5
Molecular Weight401.5
XLogP1.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity638
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NCCCCCCCC(=O)O
InChI
InChI=1S/C21H27N3O5/c25-18-11-10-17(20(28)23-18)24-13-15-14(21(24)29)7-6-8-16(15)22-12-5-3-1-2-4-9-19(26)27/h6-8,17,22H,1-5,9-13H2,(H,26,27)(H,23,25,28)
InChIKey
LANODBMJYLYGOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxyoctanoic acid-thalidomide
CAS: 2399454-65-8
CID: 150903709
Formula: C21H27N3O5
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass401.19507097
Monoisotopic Mass401.19507097
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity638
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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