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Boc-PEG4-sulfonic acid

CAT: 0804-HY-140174Size: 1 EachDry Ice: NoHazardous: No
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Description
Boc-PEG4-sulfonic acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1817735-26-4
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/boc-peg4-sulfonic-acid.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCS(=O)(O)=O
Molecular Formula
C15H30O9S
Molecular Weight
386.46
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

t-Butoxycarbonyl-PEG4-sulfonic acid
CAS Number1817735-26-4
PubChem CID102514830
IUPAC Name2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
Molecular FormulaC15H30O9S
Molecular Weight386.5
XLogP-0.7
Topological Polar Surface Area126
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Heavy Atom Count25
Formal Charge0
Complexity437
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCS(=O)(=O)O
InChI
InChI=1S/C15H30O9S/c1-15(2,3)24-14(16)4-5-20-6-7-21-8-9-22-10-11-23-12-13-25(17,18)19/h4-13H2,1-3H3,(H,17,18,19)
InChIKey
YPGODLLTTUNMNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Butoxycarbonyl-PEG4-sulfonic acid
CAS: 1817735-26-4
CID: 102514830
Formula: C15H30O9S
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Exact Mass386.16105370
Monoisotopic Mass386.16105370
Topological Polar Surface Area126 Ų
Heavy Atom Count25
Formal Charge0
Complexity437
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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