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Azido-PEG3-O-NHS ester

CAT: 0804-HY-140768-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140768-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Azido-PEG3-O-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Azido-PEG3-O-NHS ester 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
2110448-98-9
UNSPSC
12352005
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/azido-peg3-o-nhs-ester.html
Purity
95.0
Solubility
10 mM in DMSO
Smiles
O=C(OCCOCCOCCOCCN=[N+]=[N-])ON(C1=O)C(CC1)=O
Molecular Formula
C13H20N4O8
Molecular Weight
360.32
Precautions
H302, H315, H319, H335
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
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Azido-PEG3-succinimidyl carbonate
CAS Number2110448-98-9
PubChem CID129012724
IUPAC Name2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate
Molecular FormulaC13H20N4O8
Molecular Weight360.32
XLogP0.1
Topological Polar Surface Area115
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count25
Formal Charge0
Complexity478
SMILES
C1CC(=O)N(C1=O)OC(=O)OCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C13H20N4O8/c14-16-15-3-4-21-5-6-22-7-8-23-9-10-24-13(20)25-17-11(18)1-2-12(17)19/h1-10H2
InChIKey
RIGURCMIYKOKGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azido-PEG3-succinimidyl carbonate
CAS: 2110448-98-9
CID: 129012724
Formula: C13H20N4O8
MW: 360.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.32
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass360.12811361
Monoisotopic Mass360.12811361
Topological Polar Surface Area115 Ų
Heavy Atom Count25
Formal Charge0
Complexity478
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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