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M-PEG4-C6-phosphonic acid ethyl ester

CAT: 0804-HY-141314-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141314-01Size:50 mg
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Description
M-PEG4-C6-phosphonic acid ethyl ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2028281-89-0
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-peg4-c6-phosphonic-acid-ethyl-ester.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
COCCOCCOCCOCCCCCCCCP(OCC)(OCC)=O
Molecular Formula
C19H41O7P
Molecular Weight
412.50
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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
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

m-PEG4-(CH2)8-phosphonic acid ethyl ester
CAS Number2028281-89-0
PubChem CID123132066
IUPAC Name1-diethoxyphosphoryl-8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octane
Molecular FormulaC19H41O7P
Molecular Weight412.5
XLogP2.1
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count22
Heavy Atom Count27
Formal Charge0
Complexity332
SMILES
CCOP(=O)(CCCCCCCCOCCOCCOCCOC)OCC
InChI
InChI=1S/C19H41O7P/c1-4-25-27(20,26-5-2)19-11-9-7-6-8-10-12-22-15-16-24-18-17-23-14-13-21-3/h4-19H2,1-3H3
InChIKey
CNDORYGJXMHDBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG4-(CH2)8-phosphonic acid ethyl ester
CAS: 2028281-89-0
CID: 123132066
Formula: C19H41O7P
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count22
Exact Mass412.25899064
Monoisotopic Mass412.25899064
Topological Polar Surface Area72.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity332
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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