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Thalidomide-Piperazine-PEG3-NH2

CAT: 0013-GTR19189204-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189204-01Size:25 mg
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Description
This compound is a cereblon (CRBN) E3 ligase ligand-linker conjugate, widely used in PROTAC design for targeted protein degradation. It serves as a key component for constructing bifunctional degraders in both cellular and in vivo research to study disease-relevant protein targets.
CAS Number
2357113-68-7
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Pharmacology & Drug Discovery; Cell Biology
Smiles
NCCOCCOCCOCCN1CCN (CC1) c1ccc2C (=O) N (C3CCC (=O) NC3=O) C (=O) c2c1
Molecular Formula
C25H35N5O7
Molecular Weight
517.583
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thalidomide-Piperazine-PEG3-NH2
CAS Number2357113-68-7
PubChem CID138694942
IUPAC Name5-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC25H35N5O7
Molecular Weight517.6
XLogP-1.1
Topological Polar Surface Area144
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count37
Formal Charge0
Complexity819
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCOCCOCCOCCN
InChI
InChI=1S/C25H35N5O7/c26-5-11-35-13-15-37-16-14-36-12-10-28-6-8-29(9-7-28)18-1-2-19-20(17-18)25(34)30(24(19)33)21-3-4-22(31)27-23(21)32/h1-2,17,21H,3-16,26H2,(H,27,31,32)
InChIKey
HRAUTCNLSOQOMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-Piperazine-PEG3-NH2
CAS: 2357113-68-7
CID: 138694942
Formula: C25H35N5O7
MW: 517.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.6
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass517.25364847
Monoisotopic Mass517.25364847
Topological Polar Surface Area144 Ų
Heavy Atom Count37
Formal Charge0
Complexity819
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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T39895-01Thalidomide-Piperazine-PEG3-NH2
T39379-01Thalidomide-PEG3-NH2
BA3084-25Thalidomide-Piperazine-PEG3-COOH
HY-138786Thalidomide-5-PEG3-NH2
T207874-01Thalidomide-PEG3-NH2 hydrochloride
HY-130965BThalidomide-PEG3-NH2 (hydrochloride)
T39893-01Thalidomide-Piperazine-PEG2-NH2
HY-138789Thalidomide-Piperazine-PEG1-NH2
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