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Thalidomide-NH-PEG3-COOH

CAT: 0804-HY-138771-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138771-01Size:5 mg
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Description
Thalidomide-NH-PEG3-COOH 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
2375283-62-6
UNSPSC
12352005
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-nh-peg3-cooh.html
Purity
98.90
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(O)CCOCCOCCOCCNC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1
Molecular Formula
C22H27N3O9
Molecular Weight
477.46
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) :998-1002.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

Thalidomide-NH-PEG3-COOH
CAS Number2375283-62-6
PubChem CID146410740
IUPAC Name3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC22H27N3O9
Molecular Weight477.5
XLogP-0.6
Topological Polar Surface Area161
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count34
Formal Charge0
Complexity775
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C22H27N3O9/c26-18-4-3-17(20(29)24-18)25-21(30)15-2-1-14(13-16(15)22(25)31)23-6-8-33-10-12-34-11-9-32-7-5-19(27)28/h1-2,13,17,23H,3-12H2,(H,27,28)(H,24,26,29)
InChIKey
SYFPHSMLSPHFLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-NH-PEG3-COOH
CAS: 2375283-62-6
CID: 146410740
Formula: C22H27N3O9
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass477.17472945
Monoisotopic Mass477.17472945
Topological Polar Surface Area161 Ų
Heavy Atom Count34
Formal Charge0
Complexity775
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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