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Propargyl-PEG4-CH2COOH

CAT: 0804-HY-140023-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140023-01Size:100 mg
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Description
Propargyl-PEG4-CH2COOH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Propargyl-PEG4-CH2COOH 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
1429934-37-1
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/propargyl-peg4-ch2cooh.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
C#CCOCCOCCOCCOCCOCC(O)=O
Molecular Formula
C13H22O7
Molecular Weight
290.31
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Propargyl-PEG4-CH2COOH
CAS Number1429934-37-1
PubChem CID119058291
IUPAC Name2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid
Molecular FormulaC13H22O7
Molecular Weight290.31
XLogP-0.8
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity271
SMILES
C#CCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C13H22O7/c1-2-3-16-4-5-17-6-7-18-8-9-19-10-11-20-12-13(14)15/h1H,3-12H2,(H,14,15)
InChIKey
QOUMZZIPISUGKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG4-CH2COOH
CAS: 1429934-37-1
CID: 119058291
Formula: C13H22O7
MW: 290.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.31
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass290.13655304
Monoisotopic Mass290.13655304
Topological Polar Surface Area83.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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