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Tos-PEG2-THP

CAT: 0804-HY-132020-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132020-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tos-PEG2-THP is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
69502-32-5
UNSPSC
12352005
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/tos-peg2-thp.html
Purity
95.31
Solubility
10 mM in DMSO
Smiles
O=S(C1=CC=C(C)C=C1)(OCCOCCOC2CCCCO2)=O
Molecular Formula
C16H24O6S
Molecular Weight
344.43
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
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

Tos-PEG2-THP
CAS Number69502-32-5
PubChem CID12415703
IUPAC Name2-[2-(oxan-2-yloxy)ethoxy]ethyl 4-methylbenzenesulfonate
Molecular FormulaC16H24O6S
Molecular Weight344.4
XLogP2.1
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity411
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOC2CCCCO2
InChI
InChI=1S/C16H24O6S/c1-14-5-7-15(8-6-14)23(17,18)22-13-11-19-10-12-21-16-4-2-3-9-20-16/h5-8,16H,2-4,9-13H2,1H3
InChIKey
MYIMMUFXKWKAID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tos-PEG2-THP
CAS: 69502-32-5
CID: 12415703
Formula: C16H24O6S
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass344.12935965
Monoisotopic Mass344.12935965
Topological Polar Surface Area79.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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