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Thalidomide-PEG3-NH2

CAT: 0013-GTR19222331-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222331-02Size:50 mg
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Description
Thalidomide-PEG3-NH2 is a cereblon ligand-linker conjugate used in PROTAC development for targeted protein degradation. This research compound serves as a key intermediate for constructing PROTAC molecules in both in vitro biochemical and cellular studies.
CAS Number
1957236-10-0
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Pharmacology & Drug Discovery; Cell Biology
Smiles
NCCOCCOCCOc1cccc2C (=O) N (C3CCC (=O) NC3=O) C (=O) c12
Molecular Formula
C19H23N3O7
Molecular Weight
405.407
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thalidomide-PEG3-NH2
CAS Number1957236-10-0
PubChem CID121439755
IUPAC Name4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC19H23N3O7
Molecular Weight405.4
XLogP-0.9
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity641
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCN
InChI
InChI=1S/C19H23N3O7/c20-6-7-27-8-9-28-10-11-29-14-3-1-2-12-16(14)19(26)22(18(12)25)13-4-5-15(23)21-17(13)24/h1-3,13H,4-11,20H2,(H,21,23,24)
InChIKey
SIRFHSCMWOEOOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-PEG3-NH2
CAS: 1957236-10-0
CID: 121439755
Formula: C19H23N3O7
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.4
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass405.15360008
Monoisotopic Mass405.15360008
Topological Polar Surface Area137 Ų
Heavy Atom Count29
Formal Charge0
Complexity641
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
T39379-01Thalidomide-PEG3-NH2
HY-138786Thalidomide-5-PEG3-NH2
T39895-01Thalidomide-Piperazine-PEG3-NH2
T207874-01Thalidomide-PEG3-NH2 hydrochloride
HY-130965BThalidomide-PEG3-NH2 (hydrochloride)
HY-176339Thalidomide-bis-NH2-C1-PEG3
HY-138786A-01Thalidomide-5-PEG3-NH2 (hydrochloride)
HDD23620Thalidomide-O-amido-PEG3-C2-NH2
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HY-156165-01Thalidomide-5-NH-PEG3-NH2 (hydrochloride)

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