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S-acetyl-PEG3-alcohol

CAT: 0804-HY-141340-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141340-01Size:5 mg
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Description
S-acetyl-PEG3-alcohol is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
153870-20-3
UNSPSC
12352100
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/s-acetyl-peg3-alcohol.html
Solubility
10 mM in DMSO
Smiles
CC(SCCOCCOCCO)=O
Molecular Formula
C8H16O4S
Molecular Weight
208.28
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

S-acetyl-PEG3-alcohol
CAS Number153870-20-3
PubChem CID60146239
IUPAC NameS-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] ethanethioate
Molecular FormulaC8H16O4S
Molecular Weight208.28
XLogP-0.3
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count13
Formal Charge0
Complexity129
SMILES
CC(=O)SCCOCCOCCO
InChI
InChI=1S/C8H16O4S/c1-8(10)13-7-6-12-5-4-11-3-2-9/h9H,2-7H2,1H3
InChIKey
RGQARUNUXUQMFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-acetyl-PEG3-alcohol
CAS: 153870-20-3
CID: 60146239
Formula: C8H16O4S
MW: 208.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.28
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass208.07693016
Monoisotopic Mass208.07693016
Topological Polar Surface Area81.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity129
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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Alternative Products

CatalogName
573077S-acetyl-PEG3-alcohol
MD194016-3S-acetyl-PEG3-COOH
MBS5769959S-acetyl-PEG3-Boc
MBS5769958S-Acetyl-PEG3-azide
MD194006-3S-Acetyl-PEG3-N3
MD194002-3S-acetyl-PEG3-OH
MBS5769348m-PEG3-S-Acetyl
KCC82726-01S-Acetyl-PEG3-azido
WGC93333S-Acetyl-PEG3-acid
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