PeptideDB

PEG3-Tos 77544-68-4

PEG3-Tos 77544-68-4

CAS No.: 77544-68-4

Tos-PEG3 is a PEG-based PROTAC (PROteolysis TArgeting Chimera) linker that can be used for PROTAC synthesis. Tos-PEG3 (S
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Tos-PEG3 is a PEG-based PROTAC (PROteolysis TArgeting Chimera) linker that can be used for PROTAC synthesis. Tos-PEG3 (Structure 1) may be utilized to prepare 3'-aminooxy oligonucleotide solid supports.

Physicochemical Properties


Molecular Formula C13H20O6S
Molecular Weight 304.3593
Exact Mass 304.098
CAS # 77544-68-4
PubChem CID 10913735
Appearance Typically exists as solid at room temperature
Density 1.234±0.06 g/cm3
Boiling Point 460.0±35.0 °C
LogP 1.806
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Heavy Atom Count 20
Complexity 329
Defined Atom Stereocenter Count 0
SMILES

S(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])(=O)(=O)OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])O[H]

InChi Key RSUCRUOTLCQWFX-UHFFFAOYSA-N
InChi Code

InChI=1S/C13H20O6S/c1-12-2-4-13(5-3-12)20(15,16)19-11-10-18-9-8-17-7-6-14/h2-5,14H,6-11H2,1H3
Chemical Name

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate
HS Tariff Code 2934.99.9001
Storage

Powder-20°C 3 years

4°C 2 years

In solvent -80°C 6 months

-20°C 1 month

Shipping Condition Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity


ln Vitro One ligand is for an E3 ubiquitin ligase, and the other is for the target protein; these two ligands are joined by a linker to form PROTACs. PROTACs target and selectively degrade target proteins by taking advantage of the intracellular ubiquitin-proteasome system.
References [1]. Noël M, et al. Solid Supports for the Synthesis of 3'-Aminooxy Deoxy- or Ribo-oligonucleotides and Their 3'-Conjugation by Oxime Ligation.J Org Chem. 2019 Nov 15;84(22):14854-14860.

Solubility Data


Solubility (In Vitro) Ethanol : ~100 mg/mL (~328.56 mM)
DMSO : ~100 mg/mL (~328.56 mM)
H2O : ~10 mg/mL (~32.86 mM)
Solubility (In Vivo) Solubility in Formulation 1: 16.67 mg/mL (54.77 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.2856 mL 16.4279 mL 32.8558 mL
5 mM 0.6571 mL 3.2856 mL 6.5712 mL
10 mM 0.3286 mL 1.6428 mL 3.2856 mL
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.