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Thalidomide-O-amido-PEG4-azide

CAT: 0931-T18821-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T18821-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2411681-89-3
Target
Apoptosis, E3 Ligase Ligand-Linker Conjugate, Autophagy, Others
Related Pathways
Autophagy, Others, PROTAC, Apoptosis
Bioactivity
Thalidomide-O-amido-PEG4-azide is a polyethylene glycol (PEG) derivative used as a linker in the synthesis of Proteolysis Targeting Chimeras (PROTACs) [1].
Smiles
[N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)COC1=CC=CC=2C(=O)N(C(=O)C12)C3C(=O)NC(=O)CC3
Molecular Formula
C25H32N6O10
Molecular Weight
576.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thalidomide-O-amido-PEG4-azide
CAS Number2411681-89-3
PubChem CID145994567
IUPAC NameN-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
Molecular FormulaC25H32N6O10
Molecular Weight576.6
XLogP-0.2
Topological Polar Surface Area173
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Heavy Atom Count41
Formal Charge0
Complexity975
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C25H32N6O10/c26-30-28-7-9-38-11-13-40-15-14-39-12-10-37-8-6-27-21(33)16-41-19-3-1-2-17-22(19)25(36)31(24(17)35)18-4-5-20(32)29-23(18)34/h1-3,18H,4-16H2,(H,27,33)(H,29,32,34)
InChIKey
XECAZVOTJVYNEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-O-amido-PEG4-azide
CAS: 2411681-89-3
CID: 145994567
Formula: C25H32N6O10
MW: 576.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.6
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count19
Exact Mass576.21799124
Monoisotopic Mass576.21799124
Topological Polar Surface Area173 Ų
Heavy Atom Count41
Formal Charge0
Complexity975
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
BA3042-100Thalidomide-O-amido-PEG4-azide
GTR19224845-01Thalidomide-O-amido-PEG4-propargyl
BA3145-50Thalidomide-O-PEG4-azide
HY-122710Thalidomide-O-amido-PEG4-C2-NH2
HY-W1130364Thalidomide-O-amido-PEG3-azide
HY-W1130363Thalidomide-O-amido-PEG1-azide
VPD69785-01Thalidomide-o-amido-PEG4-C2-NH2 hydrochloride
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