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Thalidomide-O-amido-PEG1-azide

CAT: 0804-HY-W1130363Size: 1 EachDry Ice: NoHazardous: No
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Description
Thalidomide-O-amido-PEG1-azide is an E3 ubiquitin ligase cereblon (CRBN) ligand used to recruit the cereblon protein. Thalidomide-O-amido-PEG1-azide can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2597167-25-2
UNSPSC
12352005
Target
Ligands for E3 Ligase
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
[N-]=[N+]=NCCOCCNC(=O)COC1=CC=CC=2C(=O)N(C(=O)C12)C3C(=O)NC(=O)CC3
Molecular Formula
C19H20N6O7
Molecular Weight
444.40
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

N-(2-(2-Azidoethoxy)ethyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamide
CAS Number2597167-25-2
PubChem CID155292188
IUPAC NameN-[2-(2-azidoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
Molecular FormulaC19H20N6O7
Molecular Weight444.4
XLogP0.2
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity827
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCN=[N+]=[N-]
InChI
InChI=1S/C19H20N6O7/c20-24-22-7-9-31-8-6-21-15(27)10-32-13-3-1-2-11-16(13)19(30)25(18(11)29)12-4-5-14(26)23-17(12)28/h1-3,12H,4-10H2,(H,21,27)(H,23,26,28)
InChIKey
UEBWOTMORCLMHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(2-Azidoethoxy)ethyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamide
CAS: 2597167-25-2
CID: 155292188
Formula: C19H20N6O7
MW: 444.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.4
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass444.13934700
Monoisotopic Mass444.13934700
Topological Polar Surface Area145 Ų
Heavy Atom Count32
Formal Charge0
Complexity827
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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GTR19276433-01Thalidomide-O-amido-PEG1-azide
MD286050-1Thalidomide-O-amido-PEG1-NH2.HCl
BA3042-100Thalidomide-O-amido-PEG4-azide
GTR19276733-01Thalidomide-O-amido-PEG3-azide
T40094-01Thalidomide-O-amido-PEG1- (C1-PEG) 2-C2-NH2
GTR19225566-01Thalidomide-O-amido-PEG1- (C1-​PEG) 2-C2-NH2
MBS5770783Thalidomide-O-amido-PEG1-(C1-?PEG)2-C2-NH2
T208138-01Thalidomide-NH-amido-PEG1-C2-NH2
T206600-01Thalidomide-O-PEG1-OH
GTR19261170-01Thalidomide-NH-amido-PEG1-C2-NH2 hydrochloride

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