Acid-C2-PEG4-C2-NHS ester is a PROTAC (PROteolysis TArgeting Chimera) linker of the Polyethylene glycol (PEG) category, may be utilized to prepare PROTAC protein degraders.

Physicochemical Properties

Molecular Formula	C18H29NO11
Molecular Weight	435.422966718674
Exact Mass	435.174
CAS #	1343476-41-4
PubChem CID	77078184
Appearance	Colorless to light yellow liquid
Density	1.3±0.1 g/cm3
Boiling Point	574.8±60.0 °C at 760 mmHg
Flash Point	301.5±32.9 °C
Vapour Pressure	0.0±3.4 mmHg at 25°C
Index of Refraction	1.509
LogP	-3.42
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	20
Heavy Atom Count	30
Complexity	524
Defined Atom Stereocenter Count	0
SMILES	O(C(CCOCCOCCOCCOCCOCCC(=O)O)=O)N1C(CCC1=O)=O
InChi Key	QMACGMMKGUAJOY-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H29NO11/c20-15-1-2-16(21)19(15)30-18(24)4-6-26-8-10-28-12-14-29-13-11-27-9-7-25-5-3-17(22)23/h1-14H2,(H,22,23)
Chemical Name	3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic 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

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. The intracellular ubiquitin-proteasome system is utilized by PROTACs to specifically destroy target proteins[1].
References	[1]. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~229.66 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.74 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 (5.74 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 (5.74 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	2.2966 mL	11.4832 mL	22.9663 mL
	5 mM	0.4593 mL	2.2966 mL	4.5933 mL
	10 mM	0.2297 mL	1.1483 mL	2.2966 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.