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Azido-PEG9-azide

CAT: 0804-HY-133395-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-133395-01Size:25 mg
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Description
Azido-PEG9-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Azido-PEG9-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
1171122-72-7
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/azido-peg9-azide.html
Solubility
10 mM in DMSO
Smiles
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C20H40N6O9
Molecular Weight
508.57
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

Azido-PEG9-azide
CAS Number1171122-72-7
PubChem CID101732502
IUPAC Name1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
Molecular FormulaC20H40N6O9
Molecular Weight508.6
XLogP0.7
Topological Polar Surface Area112
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count30
Heavy Atom Count35
Formal Charge0
Complexity479
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C20H40N6O9/c21-25-23-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-20-18-34-16-14-32-12-10-30-8-6-28-4-2-24-26-22/h1-20H2
InChIKey
SWOJCRLGINETDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azido-PEG9-azide
CAS: 1171122-72-7
CID: 101732502
Formula: C20H40N6O9
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count30
Exact Mass508.28567687
Monoisotopic Mass508.28567687
Topological Polar Surface Area112 Ų
Heavy Atom Count35
Formal Charge0
Complexity479
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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