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Boc-Aminooxy-PEG5-amine

CAT: 0804-HY-140428Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140428Size:1 Each
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Description
Boc-Aminooxy-PEG5-amine is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2250216-94-3
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-peg5-amine.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NOCCOCCOCCOCCOCCOCCN
Molecular Formula
C17H36N2O8
Molecular Weight
396.48
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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

Boc-Aminooxy-PEG5-amine
CAS Number2250216-94-3
PubChem CID134827755
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
Molecular FormulaC17H36N2O8
Molecular Weight396.5
XLogP-0.7
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Heavy Atom Count27
Formal Charge0
Complexity339
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C17H36N2O8/c1-17(2,3)27-16(20)19-26-15-14-25-13-12-24-11-10-23-9-8-22-7-6-21-5-4-18/h4-15,18H2,1-3H3,(H,19,20)
InChIKey
RFFVAEAIBJSWJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boc-Aminooxy-PEG5-amine
CAS: 2250216-94-3
CID: 134827755
Formula: C17H36N2O8
MW: 396.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.5
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Exact Mass396.24716611
Monoisotopic Mass396.24716611
Topological Polar Surface Area120 Ų
Heavy Atom Count27
Formal Charge0
Complexity339
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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