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Hydroxy-PEG3-PFP ester

CAT: 0804-HY-141212Size: 1 EachDry Ice: NoHazardous: No
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Description
Hydroxy-PEG3-PFP ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1807537-40-1
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/hydroxy-peg3-pfp-ester.html
Solubility
10 mM in DMSO
Smiles
O=C(CCOCCOCCOCCO)OC1=C(C(F)=C(C(F)=C1F)F)F
Molecular Formula
C15H17F5O6
Molecular Weight
388.28
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-PEG3-PFP ester
CAS Number1807537-40-1
PubChem CID77078301
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
Molecular FormulaC15H17F5O6
Molecular Weight388.28
XLogP1
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity389
SMILES
C(COCCOCCOCCO)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C15H17F5O6/c16-10-11(17)13(19)15(14(20)12(10)18)26-9(22)1-3-23-5-7-25-8-6-24-4-2-21/h21H,1-8H2
InChIKey
MDIKFXKPNIRFLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-PEG3-PFP ester
CAS: 1807537-40-1
CID: 77078301
Formula: C15H17F5O6
MW: 388.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.28
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass388.09452907
Monoisotopic Mass388.09452907
Topological Polar Surface Area74.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity389
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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572440Hydroxy-PEG3-PFP ester
T15988-01Mal-PEG3-PFP ester
T14103-01Acid-PEG3-PFP ester
MBS5800059Propargyl-PEG3-PFP ester
MBS5768673Bis-PEG3-PFP ester
HXC53007-01Azido-PEG3-PFP ester
GTR19225899-01BCN-PEG3-VC-PFP ester
T18499-01NHPI-PEG3-C2-Pfp ester

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