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Hydroxy-Amino-bis (PEG2-propargyl)

CAT: 0804-HY-140082Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140082Size:1 Each
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Description
Hydroxy-Amino-bis (PEG2-propargyl) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Hydroxy-Amino-bis (PEG2-propargyl) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
2100306-77-0
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/hydroxy-amino-bis-peg2-propargyl.html
Solubility
10 mM in DMSO
Smiles
C#CCOCCOCCN(CCO)CCOCCOCC#C
Molecular Formula
C16H27NO5
Molecular Weight
313.39
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

Hydroxy-Amino-bis(PEG2-propargyl)
CAS Number2100306-77-0
PubChem CID126480438
IUPAC Name2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethanol
Molecular FormulaC16H27NO5
Molecular Weight313.39
XLogP-0.8
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity300
SMILES
C#CCOCCOCCN(CCO)CCOCCOCC#C
InChI
InChI=1S/C16H27NO5/c1-3-9-19-13-15-21-11-6-17(5-8-18)7-12-22-16-14-20-10-4-2/h1-2,18H,5-16H2
InChIKey
CFAWPKGCJLYIOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-Amino-bis(PEG2-propargyl)
CAS: 2100306-77-0
CID: 126480438
Formula: C16H27NO5
MW: 313.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.39
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Exact Mass313.18892296
Monoisotopic Mass313.18892296
Topological Polar Surface Area60.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity300
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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