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Azide-PEG3-Sulfone-PEG3-azide

CAT: 0804-HY-140603Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140603Size:1 Each
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Description
Azide-PEG3-Sulfone-PEG3-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Azide-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
2055024-45-6
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/azide-peg3-sulfone-peg3-azide.html
Solubility
10 mM in DMSO
Smiles
[N-]=[N+]=NCCOCCOCCOCCS(CCOCCOCCOCCN=[N+]=[N-])(=O)=O
Molecular Formula
C16H32N6O8S
Molecular Weight
468.53
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

Azide-PEG3-Sulfone-PEG3-Azide
CAS Number2055024-45-6
PubChem CID123132153
IUPAC Name1-azido-2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]ethane
Molecular FormulaC16H32N6O8S
Molecular Weight468.5
XLogP0.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count24
Heavy Atom Count31
Formal Charge0
Complexity560
SMILES
C(COCCOCCOCCS(=O)(=O)CCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C16H32N6O8S/c17-21-19-1-3-25-5-7-27-9-11-29-13-15-31(23,24)16-14-30-12-10-28-8-6-26-4-2-20-22-18/h1-16H2
InChIKey
RBTZRBCQVZHOFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azide-PEG3-Sulfone-PEG3-Azide
CAS: 2055024-45-6
CID: 123132153
Formula: C16H32N6O8S
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count24
Exact Mass468.20023317
Monoisotopic Mass468.20023317
Topological Polar Surface Area127 Ų
Heavy Atom Count31
Formal Charge0
Complexity560
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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