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Boc-Aminooxy-PEG3-thiol

CAT: 0804-HY-140439Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140439Size:1 Each
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Description
Boc-Aminooxy-PEG3-thiol is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1895922-75-4
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/boc-aminooxy-peg3-thiol.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NOCCOCCOCCOCCS
Molecular Formula
C13H27NO6S
Molecular Weight
325.42
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

t-Boc-Aminooxy-PEG3-thiol
CAS Number1895922-75-4
PubChem CID119058279
IUPAC Nametert-butyl N-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]carbamate
Molecular FormulaC13H27NO6S
Molecular Weight325.42
XLogP0.8
Topological Polar Surface Area76.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count21
Formal Charge0
Complexity260
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCS
InChI
InChI=1S/C13H27NO6S/c1-13(2,3)20-12(15)14-19-9-8-17-5-4-16-6-7-18-10-11-21/h21H,4-11H2,1-3H3,(H,14,15)
InChIKey
PUNYOZOKVXNUKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-Aminooxy-PEG3-thiol
CAS: 1895922-75-4
CID: 119058279
Formula: C13H27NO6S
MW: 325.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.42
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass325.15590875
Monoisotopic Mass325.15590875
Topological Polar Surface Area76.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity260
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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