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Boc-Aminooxy-PEG1-azide

CAT: 0804-HY-140430-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140430-01Size:25 mg
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Description
Boc-Aminooxy-PEG1-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Boc-Aminooxy-PEG1-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
2100306-67-8
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-peg1-azide.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NOCCOCCN=[N+]=[N-]
Molecular Formula
C9H18N4O4
Molecular Weight
246.26
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-PEG1-azide
CAS Number2100306-67-8
PubChem CID126480402
IUPAC Nametert-butyl N-[2-(2-azidoethoxy)ethoxy]carbamate
Molecular FormulaC9H18N4O4
Molecular Weight246.26
XLogP1.7
Topological Polar Surface Area71.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count17
Formal Charge0
Complexity271
SMILES
CC(C)(C)OC(=O)NOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C9H18N4O4/c1-9(2,3)17-8(14)12-16-7-6-15-5-4-11-13-10/h4-7H2,1-3H3,(H,12,14)
InChIKey
YVONOAOFYIVAJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-Aminooxy-PEG1-azide
CAS: 2100306-67-8
CID: 126480402
Formula: C9H18N4O4
MW: 246.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight246.26
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass246.13280507
Monoisotopic Mass246.13280507
Topological Polar Surface Area71.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity271
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