Thalidomide-NH-PEG2-C2-NH-Boc is a ligand (for E3 ligase )-linker conjugate that combines a Thalidomide-based Cereblon ligand and a PEG Linker for dBRD9 (compound 6) synthesis. dBRD9 is a selective BRD9 PROTAC probe.

Physicochemical Properties

Molecular Formula	C24H32N4O8
Molecular Weight	504.532886505127
Exact Mass	504.222
CAS #	2097509-40-3
PubChem CID	132045665
Appearance	Light yellow to yellow solid powder
LogP	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	13
Heavy Atom Count	36
Complexity	843
Defined Atom Stereocenter Count	0
SMILES	O=C1C(CCC(N1)=O)N1C(C2C=CC=C(C=2C1=O)NCCOCCOCCNC(=O)OC(C)(C)C)=O
InChi Key	YMOKYFTVZVHRSA-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H32N4O8/c1-24(2,3)36-23(33)26-10-12-35-14-13-34-11-9-25-16-6-4-5-15-19(16)22(32)28(21(15)31)17-7-8-18(29)27-20(17)30/h4-6,17,25H,7-14H2,1-3H3,(H,26,33)(H,27,29,30)
Chemical Name	tert-butyl N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate
Synonyms	ThalidomideNHPEG2C2NHBoc; Thalidomide NH PEG2 C2 NH Boc
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
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	At excesses of 10 to 100 fold, dBRD9 (0-1 μM) exhibits a strong anti-proliferative activity that surpasses non-degrading probe potencies[1].
References	[1]. Degradation of the BAF Complex Factor BRD9 by Heterobifunctional Ligands.2017 May 15;56(21):5738-5743.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 100 mg/mL (~198.20 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (4.96 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (4.96 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.9820 mL	9.9102 mL	19.8204 mL
	5 mM	0.3964 mL	1.9820 mL	3.9641 mL
	10 mM	0.1982 mL	0.9910 mL	1.9820 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.