OOCCH2O-PEG4-CH2COOH, compound 5, symmetric PEG linker, used to synthesize the first type of Homo-PROTAC.

Physicochemical Properties

Molecular Formula	C12H22O9
Molecular Weight	310.29768
Exact Mass	310.126
CAS #	77855-75-5
PubChem CID	9839663
Appearance	Colorless to light yellow viscous liquid
LogP	-1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	16
Heavy Atom Count	21
Complexity	244
Defined Atom Stereocenter Count	0
SMILES	C(O)(=O)COCCOCCOCCOCCOCC(O)=O
InChi Key	WIVPWKOWHCVJKT-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H22O9/c13-11(14)9-20-7-5-18-3-1-17-2-4-19-6-8-21-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
Chemical Name	2-[2-[2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
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

References

[1]. Homo-PROTACs: bivalent small-molecule dimerizers of the VHL E3 ubiquitin ligase to induce self-degradation. Nat Commun. 2017 Oct 10;8(1):830.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~322.27 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.06 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.06 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (8.06 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.2227 mL	16.1134 mL	32.2269 mL
	5 mM	0.6445 mL	3.2227 mL	6.4454 mL
	10 mM	0.3223 mL	1.6113 mL	3.2227 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.