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Aminooxy-PEG8-methane

CAT: 0804-HY-140400Size: 1 EachDry Ice: NoHazardous: No
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Description
Aminooxy-PEG8-methane is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2055024-52-5
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/aminooxy-peg8-methane.html
Solubility
10 mM in DMSO
Smiles
NOCCOCCOCCOCCOCCOCCOCCOCCOC
Molecular Formula
C17H37NO9
Molecular Weight
399.48
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
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Aminooxy-PEG8-methane HCl salt
CAS Number2055024-52-5
PubChem CID117851956
IUPAC NameO-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hydroxylamine
Molecular FormulaC17H37NO9
Molecular Weight399.5
XLogP-1.8
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count24
Heavy Atom Count27
Formal Charge0
Complexity263
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCON
InChI
InChI=1S/C17H37NO9/c1-19-2-3-20-4-5-21-6-7-22-8-9-23-10-11-24-12-13-25-14-15-26-16-17-27-18/h2-18H2,1H3
InChIKey
XKXIFMRAUATMHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aminooxy-PEG8-methane HCl salt
CAS: 2055024-52-5
CID: 117851956
Formula: C17H37NO9
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.5
XLogP3-1.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count24
Exact Mass399.24683176
Monoisotopic Mass399.24683176
Topological Polar Surface Area109 Ų
Heavy Atom Count27
Formal Charge0
Complexity263
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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