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Thiol-PEG6-alcohol

CAT: 0804-HY-130580-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130580-01Size:50 mg
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Description
Thiol-PEG6-alcohol is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
194425-46-2
Product Name Alternative
HS-PEG6-OH
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/thiol-peg6-alcohol.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
OCCOCCOCCOCCOCCOCCS
Molecular Formula
C12H26O6S
Molecular Weight
298.40
Precautions
H302, H315, H319, H335
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
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

17-Sulfanyl-3,6,9,12,15-pentaoxaheptadecan-1-ol
CAS Number194425-46-2
PubChem CID71347069
IUPAC Name2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Molecular FormulaC12H26O6S
Molecular Weight298.40
XLogP-0.9
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count19
Formal Charge0
Complexity161
SMILES
C(COCCOCCOCCOCCOCCS)O
InChI
InChI=1S/C12H26O6S/c13-1-2-14-3-4-15-5-6-16-7-8-17-9-10-18-11-12-19/h13,19H,1-12H2
InChIKey
RBHVCADZZSNWRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 17-Sulfanyl-3,6,9,12,15-pentaoxaheptadecan-1-ol
CAS: 194425-46-2
CID: 71347069
Formula: C12H26O6S
MW: 298.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.40
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass298.14500972
Monoisotopic Mass298.14500972
Topological Polar Surface Area67.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity161
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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