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Thalidomide-5-PEG4-NH2

CAT: 0804-HY-138785Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-138785Size:1 Each
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Description
Thalidomide-5-PEG4-NH2 is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology[1].
CAS Number
2743434-16-2
UNSPSC
12352005
Hazard Statement
H315-H319-H320
Target
Apoptosis; Autophagy; E3 Ligase Ligand-Linker Conjugates
Type
Reference compound
Related Pathways
Apoptosis; Autophagy; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/thalidomide-5-peg4-nh2.html
Solubility
10 mM in DMSO
Smiles
NCCOCCOCCOCCOC1=CC(C(N2C(C3=O)CCC(N3)=O)=O)=C(C=C1)C2=O
Molecular Formula
C21H27N3O8
Molecular Weight
449.45
Precautions
P264-P280-P302+P352-P305+P351+P338-P362
References & Citations
[1]Sato T, et al. Cereblon-Based Small-Molecule Compounds to Control Neural Stem Cell Proliferation in Regenerative Medicine. Front Cell Dev Biol. 2021;9:629326. Published 2021 Mar 11.|[2]Nalawansha DA, et al. PROTACs: An Emerging Therapeutic Modality in Precision Medicine. Cell Chem Biol. 2020;27 (8) :998-994.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

Thalidomide-5-PEG4-NH2
CAS Number2743434-16-2
PubChem CID162642715
IUPAC Name5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC21H27N3O8
Molecular Weight449.5
XLogP-1.1
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count32
Formal Charge0
Complexity688
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)OCCOCCOCCOCCN
InChI
InChI=1S/C21H27N3O8/c22-5-6-29-7-8-30-9-10-31-11-12-32-14-1-2-15-16(13-14)21(28)24(20(15)27)17-3-4-18(25)23-19(17)26/h1-2,13,17H,3-12,22H2,(H,23,25,26)
InChIKey
NAAJPGFSGFFQGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-5-PEG4-NH2
CAS: 2743434-16-2
CID: 162642715
Formula: C21H27N3O8
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass449.17981483
Monoisotopic Mass449.17981483
Topological Polar Surface Area146 Ų
Heavy Atom Count32
Formal Charge0
Complexity688
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
GTR19261154-01Thalidomide-5-PEG4-NH2
MBS5800329Thalidomide-PEG4-NH2 hydrochloride
MD329005-4Thalidomide-O-PEG4-NH2
T208144-01Thalidomide-NH-amido-PEG4-C2-NH2
T39380-01Thalidomide-O-amido-PEG4-C2-NH2
VPD69785-01Thalidomide-o-amido-PEG4-C2-NH2 hydrochloride
OR1036381Thalidomide-O-amido-PEG4-C2-NH2 (hydrochloride)
T208145-01Thalidomide-NH-amido-PEG4-C2-NH2 hydrochloride
T208126-01Thalidomide-5-PEG3-NH2
MD005005-4-01NH2-PEG4-NH2

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