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PC-PEG11-Azide

CAT: 0804-HY-140863Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140863Size:1 Each
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Description
PC-PEG11-Azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. PC-PEG11-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
2353409-89-7
UNSPSC
12352005
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pc-peg11-azide.html
Solubility
10 mM in DMSO
Smiles
O=C(CCCOC1=C(OC)C=C([N+]([O-])=O)C(C(O)C)=C1)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C37H65N5O17
Molecular Weight
851.94
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

PC-PEG11-Azide
CAS Number2353409-89-7
PubChem CID137334069
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[5-(1-hydroxyethyl)-2-methoxy-4-nitrophenoxy]butanamide
Molecular FormulaC37H65N5O17
Molecular Weight851.9
XLogP0.1
Topological Polar Surface Area230
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count43
Heavy Atom Count59
Formal Charge0
Complexity1030
SMILES
CC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])O
InChI
InChI=1S/C37H65N5O17/c1-32(43)33-30-36(35(47-2)31-34(33)42(45)46)59-7-3-4-37(44)39-5-8-48-10-12-50-14-16-52-18-20-54-22-24-56-26-28-58-29-27-57-25-23-55-21-19-53-17-15-51-13-11-49-9-6-40-41-38/h30-32,43H,3-29H2,1-2H3,(H,39,44)
InChIKey
MRHIPHHAKWDGIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PC-PEG11-Azide
CAS: 2353409-89-7
CID: 137334069
Formula: C37H65N5O17
MW: 851.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight851.9
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count43
Exact Mass851.43754562
Monoisotopic Mass851.43754562
Topological Polar Surface Area230 Ų
Heavy Atom Count59
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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