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Boc-NHCH2CH2-PEG1-azide

CAT: 0804-HY-132119-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132119-01Size:100 mg
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Description
Boc-NHCH2CH2-PEG1-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Boc-NHCH2CH2-PEG1-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
176220-30-7
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-nhch2ch2-peg1-azide.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
CC(C)(OC(NCCOCCN=[N+]=[N-])=O)C
Molecular Formula
C9H18N4O3
Molecular Weight
230.26
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
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Tert-butyl (2-(2-azidoethoxy)ethyl)carbamate
CAS Number176220-30-7
PubChem CID12106197
IUPAC Nametert-butyl N-[2-(2-azidoethoxy)ethyl]carbamate
Molecular FormulaC9H18N4O3
Molecular Weight230.26
XLogP1.7
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count16
Formal Charge0
Complexity256
SMILES
CC(C)(C)OC(=O)NCCOCCN=[N+]=[N-]
InChI
InChI=1S/C9H18N4O3/c1-9(2,3)16-8(14)11-4-6-15-7-5-12-13-10/h4-7H2,1-3H3,(H,11,14)
InChIKey
OIGBULWLGULHNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl (2-(2-azidoethoxy)ethyl)carbamate
CAS: 176220-30-7
CID: 12106197
Formula: C9H18N4O3
MW: 230.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.26
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass230.13789045
Monoisotopic Mass230.13789045
Topological Polar Surface Area61.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity256
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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