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Aminooxy-PEG3-C2-Boc

CAT: 0804-HY-140401Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140401Size:1 Each
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Description
Aminooxy-PEG3-C2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1835759-72-2
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-peg3-c2-boc.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCON
Molecular Formula
C13H27NO6
Molecular Weight
293.36
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
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Aminooxy-PEG3-t-butyl ester
CAS Number1835759-72-2
PubChem CID102514770
IUPAC Nametert-butyl 3-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]propanoate
Molecular FormulaC13H27NO6
Molecular Weight293.36
XLogP-0.3
Topological Polar Surface Area89.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count20
Formal Charge0
Complexity242
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCON
InChI
InChI=1S/C13H27NO6/c1-13(2,3)20-12(15)4-5-16-6-7-17-8-9-18-10-11-19-14/h4-11,14H2,1-3H3
InChIKey
NZYHFTOQEYCMKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aminooxy-PEG3-t-butyl ester
CAS: 1835759-72-2
CID: 102514770
Formula: C13H27NO6
MW: 293.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.36
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass293.18383758
Monoisotopic Mass293.18383758
Topological Polar Surface Area89.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity242
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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