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Acid-PEG4-S-PEG4-acid

CAT: 0804-HY-140589Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-140589Size:1 Each
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Description
Acid-PEG4-S-PEG4-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2055041-21-7
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/acid-peg4-s-peg4-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(O)CCOCCOCCOCCOCCSCCOCCOCCOCCOCCC(O)=O
Molecular Formula
C22H42O12S
Molecular Weight
530.63
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

Acid-PEG4-S-PEG4-Acid
CAS Number2055041-21-7
PubChem CID119058249
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC22H42O12S
Molecular Weight530.6
XLogP-1.3
Topological Polar Surface Area174
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count30
Heavy Atom Count35
Formal Charge0
Complexity430
SMILES
C(COCCOCCOCCOCCSCCOCCOCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C22H42O12S/c23-21(24)1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-20-18-34-16-14-32-12-10-30-8-6-28-4-2-22(25)26/h1-20H2,(H,23,24)(H,25,26)
InChIKey
GRGLDHQIGLRPHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acid-PEG4-S-PEG4-Acid
CAS: 2055041-21-7
CID: 119058249
Formula: C22H42O12S
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count30
Exact Mass530.23969794
Monoisotopic Mass530.23969794
Topological Polar Surface Area174 Ų
Heavy Atom Count35
Formal Charge0
Complexity430
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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