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Boc-NH-PEG7-azide

CAT: 0804-HY-140839-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140839-01Size:25 mg
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Description
Boc-NH-PEG7-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Boc-NH-PEG7-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
206265-96-5
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/boc-nh-peg7-azide.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C21H42N4O9
Molecular Weight
494.58
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

t-boc-N-amido-PEG7-azide
CAS Number206265-96-5
PubChem CID121327403
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC21H42N4O9
Molecular Weight494.6
XLogP0.8
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Heavy Atom Count34
Formal Charge0
Complexity515
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C21H42N4O9/c1-21(2,3)34-20(26)23-4-6-27-8-10-29-12-14-31-16-18-33-19-17-32-15-13-30-11-9-28-7-5-24-25-22/h4-19H2,1-3H3,(H,23,26)
InChIKey
ZNEWYWROTJUFAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-boc-N-amido-PEG7-azide
CAS: 206265-96-5
CID: 121327403
Formula: C21H42N4O9
MW: 494.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight494.6
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Exact Mass494.29517893
Monoisotopic Mass494.29517893
Topological Polar Surface Area117 Ų
Heavy Atom Count34
Formal Charge0
Complexity515
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