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Aminooxy-PEG3-C2-thiol

CAT: 0804-HY-134512-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-134512-01Size:25 mg
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Description
Aminooxy-PEG3-C2-thiol is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1200365-63-4
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/aminooxy-peg3-c2-thiol.html
Purity
95.0
Smiles
NOCCOCCOCCOCCS
Molecular Formula
C8H19NO4S
Molecular Weight
225.31
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
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Aminooxy-PEG3-thiol HCl salt
CAS Number1200365-63-4
PubChem CID119058257
IUPAC NameO-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]hydroxylamine
Molecular FormulaC8H19NO4S
Molecular Weight225.31
XLogP-0.8
Topological Polar Surface Area63.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count14
Formal Charge0
Complexity107
SMILES
C(COCCON)OCCOCCS
InChI
InChI=1S/C8H19NO4S/c9-13-6-5-11-2-1-10-3-4-12-7-8-14/h14H,1-9H2
InChIKey
PPTKPSRJLDTYOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aminooxy-PEG3-thiol HCl salt
CAS: 1200365-63-4
CID: 119058257
Formula: C8H19NO4S
MW: 225.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.31
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass225.10347926
Monoisotopic Mass225.10347926
Topological Polar Surface Area63.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity107
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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