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Aminooxy-PEG4-C2-Boc

CAT: 0804-HY-140402-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140402-01Size:100 mg
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Description
Aminooxy-PEG4-C2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2100306-82-7
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/aminooxy-peg4-c2-boc.html
Purity
96.0
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCON
Molecular Formula
C15H31NO7
Molecular Weight
337.41
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Aminooxy-PEG4-t-butyl ester
CAS Number2100306-82-7
PubChem CID126961969
IUPAC Nametert-butyl 3-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC15H31NO7
Molecular Weight337.41
XLogP-0.5
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count23
Formal Charge0
Complexity281
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCON
InChI
InChI=1S/C15H31NO7/c1-15(2,3)23-14(17)4-5-18-6-7-19-8-9-20-10-11-21-12-13-22-16/h4-13,16H2,1-3H3
InChIKey
YTAYURBTLQKIKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aminooxy-PEG4-t-butyl ester
CAS: 2100306-82-7
CID: 126961969
Formula: C15H31NO7
MW: 337.41
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight337.41
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass337.21005233
Monoisotopic Mass337.21005233
Topological Polar Surface Area98.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity281
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