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M-PEG6-C6-phosphonic acid ethyl ester

CAT: 0804-HY-141315Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-141315Size:1 Each
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Description
M-PEG6-C6-phosphonic acid ethyl ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2028281-88-9
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/m-peg6-c6-phosphonic-acid-ethyl-ester.html
Solubility
10 mM in DMSO
Smiles
COCCOCCOCCOCCOCCOCCCCCCCCP(OCC)(OCC)=O
Molecular Formula
C23H49O9P
Molecular Weight
500.60
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

m-PEG6-(CH2)8-phosphonic acid ethyl ester
CAS Number2028281-88-9
PubChem CID123132064
IUPAC Name1-diethoxyphosphoryl-8-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
Molecular FormulaC23H49O9P
Molecular Weight500.6
XLogP1.8
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count28
Heavy Atom Count33
Formal Charge0
Complexity417
SMILES
CCOP(=O)(CCCCCCCCOCCOCCOCCOCCOCCOC)OCC
InChI
InChI=1S/C23H49O9P/c1-4-31-33(24,32-5-2)23-11-9-7-6-8-10-12-26-15-16-28-19-20-30-22-21-29-18-17-27-14-13-25-3/h4-23H2,1-3H3
InChIKey
ANRJOLZTIWLHKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG6-(CH2)8-phosphonic acid ethyl ester
CAS: 2028281-88-9
CID: 123132064
Formula: C23H49O9P
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count28
Exact Mass500.31142013
Monoisotopic Mass500.31142013
Topological Polar Surface Area90.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity417
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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