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Thalidomide-Propargyne-PEG1-COOH

CAT: 0804-HY-138778-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138778-01Size:25 mg
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Description
Thalidomide-Propargyne-PEG1-COOH is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology[1]. Thalidomide-Propargyne-PEG1-COOH is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
2828438-36-2
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-propargyne-peg1-cooh.html
Purity
99.62
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
OC(CCOCC#CC(C=C12)=CC=C2C(N(C1=O)C3CCC(NC3=O)=O)=O)=O
Molecular Formula
C19H16N2O7
Molecular Weight
384.34
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) :998-990.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

Chemical Information

Thalidomide-Propargyne-PEG1-COOH
CAS Number2828438-36-2
PubChem CID146485051
IUPAC Name3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-ynoxy]propanoic acid
Molecular FormulaC19H16N2O7
Molecular Weight384.3
XLogP-0.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity778
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C#CCOCCC(=O)O
InChI
InChI=1S/C19H16N2O7/c22-15-6-5-14(17(25)20-15)21-18(26)12-4-3-11(10-13(12)19(21)27)2-1-8-28-9-7-16(23)24/h3-4,10,14H,5-9H2,(H,23,24)(H,20,22,25)
InChIKey
HVNLXJHGBVADJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-Propargyne-PEG1-COOH
CAS: 2828438-36-2
CID: 146485051
Formula: C19H16N2O7
MW: 384.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.3
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass384.09575085
Monoisotopic Mass384.09575085
Topological Polar Surface Area130 Ų
Heavy Atom Count28
Formal Charge0
Complexity778
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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