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Azido-PEG8-C1-NHS ester

CAT: 0804-HY-140767Size: 1 EachDry Ice: NoHazardous: No
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Description
Azido-PEG8-C1-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Azido-PEG8-C1-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
2182601-81-4
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-peg8-c1-nhs-ester.html
Solubility
10 mM in DMSO
Smiles
O=C(ON1C(CCC1=O)=O)COCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C22H38N4O12
Molecular Weight
550.56
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

Azido-PEG8-CH2CO2-NHS
CAS Number2182601-81-4
PubChem CID131709284
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
Molecular FormulaC22H38N4O12
Molecular Weight550.6
XLogP-1
Topological Polar Surface Area152
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count28
Heavy Atom Count38
Formal Charge0
Complexity677
SMILES
C1CC(=O)N(C1=O)OC(=O)COCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C22H38N4O12/c23-25-24-3-4-30-5-6-31-7-8-32-9-10-33-11-12-34-13-14-35-15-16-36-17-18-37-19-22(29)38-26-20(27)1-2-21(26)28/h1-19H2
InChIKey
BWTLXAMVEGXXCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azido-PEG8-CH2CO2-NHS
CAS: 2182601-81-4
CID: 131709284
Formula: C22H38N4O12
MW: 550.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.6
XLogP3-1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count28
Exact Mass550.24862266
Monoisotopic Mass550.24862266
Topological Polar Surface Area152 Ų
Heavy Atom Count38
Formal Charge0
Complexity677
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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