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Propargyl-PEG3-CH2COOH

CAT: 0804-HY-130563-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130563-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Propargyl-PEG3-CH2COOH is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1]. Propargyl-PEG3-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
1694731-93-5
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-peg3-ch2cooh.html
Purity
98.0
Smiles
C#CCOCCOCCOCCOCC(O)=O
Molecular Formula
C11H18O6
Molecular Weight
246.26
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Wurz RP, et al. A "Click Chemistry Platform" for the Rapid Synthesis of Bispecific Molecules for Inducing ProteinDegradation. J Med Chem. 2018 Jan 25;61 (2) :453-461.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

3,6,9,12-Tetraoxapentadec-14-ynoic acid
CAS Number1694731-93-5
PubChem CID91757748
IUPAC Name2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetic acid
Molecular FormulaC11H18O6
Molecular Weight246.26
XLogP-0.7
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count17
Formal Charge0
Complexity231
SMILES
C#CCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C11H18O6/c1-2-3-14-4-5-15-6-7-16-8-9-17-10-11(12)13/h1H,3-10H2,(H,12,13)
InChIKey
MJRNNISHHNMYAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6,9,12-Tetraoxapentadec-14-ynoic acid
CAS: 1694731-93-5
CID: 91757748
Formula: C11H18O6
MW: 246.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.26
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass246.11033829
Monoisotopic Mass246.11033829
Topological Polar Surface Area74.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity231
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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