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Thalidomide-5- (PEG2-amine)

CAT: 0013-GTR19258256-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258256-02Size:50 mg
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Description
Thalidomide-5- (PEG2-amine) is a Thalidomide analogue that includes an E3 ligase ligand substituted with a terminal amine group. The amine group can react with NHS esters or carboxylic acids in the presence of EDC or HATU. The PEG spacer enhances water solubility.
CAS Number
2550398-08-6
Field of Research
Metabolism Research; Pharmacology & Drug Discovery, Pharmacology & Drug Discovery
Smiles
O=C (NCCOCCOCCN) C1=CC=C2C (=O) N (C (=O) C2=C1) C3C (=O) NC (=O) CC3
Molecular Formula
C20H24N4O7
Molecular Weight
432.427
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thalidomide-5-(PEG2-amine)
CAS Number2550398-08-6
PubChem CID167313091
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
Molecular FormulaC20H24N4O7
Molecular Weight432.4
XLogP-1.6
Topological Polar Surface Area157
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity728
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCOCCOCCN
InChI
InChI=1S/C20H24N4O7/c21-5-7-30-9-10-31-8-6-22-17(26)12-1-2-13-14(11-12)20(29)24(19(13)28)15-3-4-16(25)23-18(15)27/h1-2,11,15H,3-10,21H2,(H,22,26)(H,23,25,27)
InChIKey
JHPUXMJZJYXENI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-5-(PEG2-amine)
CAS: 2550398-08-6
CID: 167313091
Formula: C20H24N4O7
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass432.16449912
Monoisotopic Mass432.16449912
Topological Polar Surface Area157 Ų
Heavy Atom Count31
Formal Charge0
Complexity728
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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