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Boc-Aminooxy-PEG4-azide

CAT: 0804-HY-140433Size: 1 EachDry Ice: NoHazardous: No
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Description
Boc-Aminooxy-PEG4-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Boc-Aminooxy-PEG4-azide is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. It can also undergo strain-promoted alkyne-azide cycloaddition (SPAAC) reactions with molecules containing DBCO or BCN groups.
CAS Number
2100306-64-5
UNSPSC
12352211
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-peg4-azide.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NOCCOCCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C15H30N4O7
Molecular Weight
378.42
References & Citations
[1]Zhao B, et al. Protein Engineering in the Ubiquitin System: Tools for Discovery and Beyond. Pharmacol Rev. 2020 Apr;72 (2) :380-413.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

t-Boc-Aminooxy-PEG4-azide
CAS Number2100306-64-5
PubChem CID126480403
IUPAC Nametert-butyl N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]carbamate
Molecular FormulaC15H30N4O7
Molecular Weight378.42
XLogP1.3
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count26
Formal Charge0
Complexity398
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C15H30N4O7/c1-15(2,3)26-14(20)18-25-13-12-24-11-10-23-9-8-22-7-6-21-5-4-17-19-16/h4-13H2,1-3H3,(H,18,20)
InChIKey
RIZQRNYLIDPPFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-Aminooxy-PEG4-azide
CAS: 2100306-64-5
CID: 126480403
Formula: C15H30N4O7
MW: 378.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.42
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass378.21144931
Monoisotopic Mass378.21144931
Topological Polar Surface Area98.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity398
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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