Thalidomide-NH-C6-NH2 TFA is a ligand (for E3 ligase )-linker conjugate composed of Thalidomide (ligand for E3 ligase cereblon/CRBN) and a linker.

Physicochemical Properties

Molecular Formula	C21H25F3N4O6
Molecular Weight	486.441615819931
Exact Mass	486.172
CAS #	2093386-51-5
PubChem CID	146047127
Appearance	Light yellow to yellow solid powder
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	34
Complexity	692
Defined Atom Stereocenter Count	0
SMILES	FC(C(=O)O)(F)F.O=C1C2C(=CC=CC=2C(N1C1C(NC(CC1)=O)=O)=O)NCCCCCCN
InChi Key	VUTCFPKPHCMKEA-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H24N4O4.C2HF3O2/c20-10-3-1-2-4-11-21-13-7-5-6-12-16(13)19(27)23(18(12)26)14-8-9-15(24)22-17(14)25;3-2(4,5)1(6)7/h5-7,14,21H,1-4,8-11,20H2,(H,22,24,25);(H,6,7)
Chemical Name	4-(6-aminohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
Synonyms	ThalidomideNHC6NH2 TFA; Thalidomide NH C6 NH2 TFA
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	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]. Proteolysis Targeting Chimeras for the Selective Degradation of Mcl-1/Bcl-2 Derived from Nonselective Target Binding Ligands. J Med Chem. 2019 Sep 12;62(17):8152-8163.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~205.58 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.14 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 (5.14 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	2.0558 mL	10.2788 mL	20.5575 mL
	5 mM	0.4112 mL	2.0558 mL	4.1115 mL
	10 mM	0.2056 mL	1.0279 mL	2.0558 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.