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Thiol-PEG3-phosphonic acid

CAT: 0804-HY-141318-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141318-01Size:5 mg
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Description
Thiol-PEG3-phosphonic acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1360716-36-4
UNSPSC
12352100
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/thiol-peg3-phosphonic-acid.html
Solubility
10 mM in DMSO
Smiles
OP(O)(CCOCCOCCOCCS)=O
Molecular Formula
C8H19O6PS
Molecular Weight
274.27
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

Thiol-PEG3-phosphonic acid
CAS Number1360716-36-4
PubChem CID119058378
IUPAC Name2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethylphosphonic acid
Molecular FormulaC8H19O6PS
Molecular Weight274.27
XLogP-1.8
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count16
Formal Charge0
Complexity197
SMILES
C(COCCP(=O)(O)O)OCCOCCS
InChI
InChI=1S/C8H19O6PS/c9-15(10,11)7-5-13-3-1-12-2-4-14-6-8-16/h16H,1-8H2,(H2,9,10,11)
InChIKey
UBKOBPQABCOCDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiol-PEG3-phosphonic acid
CAS: 1360716-36-4
CID: 119058378
Formula: C8H19O6PS
MW: 274.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.27
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass274.06399649
Monoisotopic Mass274.06399649
Topological Polar Surface Area86.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity197
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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