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M-PEG3-Sulfone-PEG3-acid

CAT: 0804-HY-140605Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140605Size:1 Each
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Description
M-PEG3-Sulfone-PEG3-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1919045-04-7
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/m-peg3-sulfone-peg3-acid.html
Solubility
10 mM in DMSO
Smiles
COCCOCCOCCS(CCOCCOCCOCCC(O)=O)(=O)=O
Molecular Formula
C16H32O10S
Molecular Weight
416.48
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

m-PEG3-Sulfone-PEG3-acid
CAS Number1919045-04-7
PubChem CID119058261
IUPAC Name3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC16H32O10S
Molecular Weight416.5
XLogP-1.8
Topological Polar Surface Area135
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Heavy Atom Count27
Formal Charge0
Complexity435
SMILES
COCCOCCOCCS(=O)(=O)CCOCCOCCOCCC(=O)O
InChI
InChI=1S/C16H32O10S/c1-21-4-5-23-8-10-25-12-14-27(19,20)15-13-26-11-9-24-7-6-22-3-2-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKey
CLINTTTZSLFCQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG3-Sulfone-PEG3-acid
CAS: 1919045-04-7
CID: 119058261
Formula: C16H32O10S
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP3-1.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Exact Mass416.17161839
Monoisotopic Mass416.17161839
Topological Polar Surface Area135 Ų
Heavy Atom Count27
Formal Charge0
Complexity435
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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T18185-01M-PEG3-Sulfone-PEG3-acid
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