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Benzaldehyde-PEG4-azide

CAT: 0804-HY-133455-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-133455-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Benzaldehyde-PEG4-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Benzaldehyde-PEG4-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
1151451-77-2
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/benzaldehyde-peg4-azide.html
Purity
97.0
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=CC1=CC=C(OCCOCCOCCOCCN=[N+]=[N-])C=C1
Molecular Formula
C15H21N3O5
Molecular Weight
323.35
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)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Benzaldehyde-PEG4-azide
CAS Number1151451-77-2
PubChem CID146026155
IUPAC Name4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde
Molecular FormulaC15H21N3O5
Molecular Weight323.34
XLogP1.8
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count23
Formal Charge0
Complexity342
SMILES
C1=CC(=CC=C1C=O)OCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C15H21N3O5/c16-18-17-5-6-20-7-8-21-9-10-22-11-12-23-15-3-1-14(13-19)2-4-15/h1-4,13H,5-12H2
InChIKey
MJNGKISXZKKSNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzaldehyde-PEG4-azide
CAS: 1151451-77-2
CID: 146026155
Formula: C15H21N3O5
MW: 323.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.34
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass323.14812078
Monoisotopic Mass323.14812078
Topological Polar Surface Area68.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity342
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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