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Boc-Aminooxy-PEG3-azide

CAT: 0804-HY-140432-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140432-01Size:25 mg
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Description
Boc-Aminooxy-PEG3-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Boc-Aminooxy-PEG3-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
1235514-15-4
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-peg3-azide.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NOCCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C13H26N4O6
Molecular Weight
334.37
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
Alkyl/ether Linkers; PEG Linkers

Chemical Information

t-Boc-Aminooxy-PEG3-Azide
CAS Number1235514-15-4
PubChem CID91809469
IUPAC Nametert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
Molecular FormulaC13H26N4O6
Molecular Weight334.37
XLogP1.4
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count23
Formal Charge0
Complexity355
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C13H26N4O6/c1-13(2,3)23-12(18)16-22-11-10-21-9-8-20-7-6-19-5-4-15-17-14/h4-11H2,1-3H3,(H,16,18)
InChIKey
NMMKIEUJNULAEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-Aminooxy-PEG3-Azide
CAS: 1235514-15-4
CID: 91809469
Formula: C13H26N4O6
MW: 334.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight334.37
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass334.18523456
Monoisotopic Mass334.18523456
Topological Polar Surface Area89.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity355
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