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Propargyl-PEG4-beta-D-glucose

CAT: 0804-HY-141132-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141132-01Size:25 mg
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Description
Propargyl-PEG4-beta-D-glucose is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Propargyl-PEG4-beta-D-glucose 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
1397682-63-1
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/propargyl-peg4-beta-d-glucose.html
Solubility
10 mM in DMSO
Smiles
O[C@H]([C@H]([C@H]([C@@H](CO)O1)O)O)[C@@H]1OCCOCCOCCOCCOCC#C
Molecular Formula
C17H30O10
Molecular Weight
394.41
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

Propargyl-PEG4-beta-D-glucose
CAS Number1397682-63-1
PubChem CID146025996
IUPAC Name(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol
Molecular FormulaC17H30O10
Molecular Weight394.4
XLogP-2.5
Topological Polar Surface Area136
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count27
Formal Charge0
Complexity412
SMILES
C#CCOCCOCCOCCOCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C17H30O10/c1-2-3-22-4-5-23-6-7-24-8-9-25-10-11-26-17-16(21)15(20)14(19)13(12-18)27-17/h1,13-21H,3-12H2/t13-,14+,15+,16-,17-/m1/s1
InChIKey
QZJHREOKMZFHTH-DRRXZNNHSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG4-beta-D-glucose
CAS: 1397682-63-1
CID: 146025996
Formula: C17H30O10
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP3-2.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass394.18389715
Monoisotopic Mass394.18389715
Topological Polar Surface Area136 Ų
Heavy Atom Count27
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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