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Aminooxy-PEG8-acid

CAT: 0804-HY-140395Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140395Size:1 Each
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Description
Aminooxy-PEG8-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2055269-60-6
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-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCON
Molecular Formula
C19H39NO11
Molecular Weight
457.51
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

Aminooxy-PEG8-acid
CAS Number2055269-60-6
PubChem CID77078226
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC19H39NO11
Molecular Weight457.5
XLogP-4.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count27
Heavy Atom Count31
Formal Charge0
Complexity364
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCON)C(=O)O
InChI
InChI=1S/C19H39NO11/c20-31-18-17-30-16-15-29-14-13-28-12-11-27-10-9-26-8-7-25-6-5-24-4-3-23-2-1-19(21)22/h1-18,20H2,(H,21,22)
InChIKey
JLSWXOZSYBQIRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aminooxy-PEG8-acid
CAS: 2055269-60-6
CID: 77078226
Formula: C19H39NO11
MW: 457.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.5
XLogP3-4.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count27
Exact Mass457.25231106
Monoisotopic Mass457.25231106
Topological Polar Surface Area146 Ų
Heavy Atom Count31
Formal Charge0
Complexity364
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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