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Azido-PEG10-acid

CAT: 0804-HY-140455-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140455-01Size:25 mg
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Description
Azido-PEG10-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Azido-PEG10-acid 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
1644163-57-4
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/azido-peg10-acid.html
Purity
99.88
Solubility
10 mM in DMSO
Smiles
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C23H45N3O12
Molecular Weight
555.62
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
4°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Azido-PEG10-acid
CAS Number1644163-57-4
PubChem CID77078360
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC23H45N3O12
Molecular Weight555.6
XLogP-0.8
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count33
Heavy Atom Count38
Formal Charge0
Complexity542
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C23H45N3O12/c24-26-25-2-4-30-6-8-32-10-12-34-14-16-36-18-20-38-22-21-37-19-17-35-15-13-33-11-9-31-7-5-29-3-1-23(27)28/h1-22H2,(H,27,28)
InChIKey
UOKQXCSLUSWFRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azido-PEG10-acid
CAS: 1644163-57-4
CID: 77078360
Formula: C23H45N3O12
MW: 555.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.6
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count33
Exact Mass555.30032388
Monoisotopic Mass555.30032388
Topological Polar Surface Area144 Ų
Heavy Atom Count38
Formal Charge0
Complexity542
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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