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M-PEG3-Sulfone-PEG3-azide

CAT: 0804-HY-140606Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140606Size:1 Each
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Description
M-PEG3-Sulfone-PEG3-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. m-PEG3-Sulfone-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
1895922-76-5
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/m-peg3-sulfone-peg3-azide.html
Solubility
10 mM in DMSO
Smiles
COCCOCCOCCS(CCOCCOCCOCCN=[N+]=[N-])(=O)=O
Molecular Formula
C15H31N3O8S
Molecular Weight
413.49
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
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

m-PEG3-Sulfone-PEG3-azide
CAS Number1895922-76-5
PubChem CID119058264
IUPAC Name1-azido-2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]ethane
Molecular FormulaC15H31N3O8S
Molecular Weight413.5
XLogP-0.4
Topological Polar Surface Area112
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Heavy Atom Count27
Formal Charge0
Complexity466
SMILES
COCCOCCOCCS(=O)(=O)CCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C15H31N3O8S/c1-21-4-5-23-8-10-25-12-14-27(19,20)15-13-26-11-9-24-7-6-22-3-2-17-18-16/h2-15H2,1H3
InChIKey
NRRNNKUSZIHIJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG3-Sulfone-PEG3-azide
CAS: 1895922-76-5
CID: 119058264
Formula: C15H31N3O8S
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP3-0.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Exact Mass413.18318613
Monoisotopic Mass413.18318613
Topological Polar Surface Area112 Ų
Heavy Atom Count27
Formal Charge0
Complexity466
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