Thalidomide-5-NH2-CH2-COOH (compound 114) is a potent and specific inhibitor of tropomyosin receptor kinase (trk). Thalidomide-5-NH2-CH2-COOH is a ligand for E3 ligase. Thalidomide-5-NH2-CH2-COOH may be used for studying one or more diseases (information disclosed in patent WO2021170109A1).

Physicochemical Properties

Molecular Formula	C15H13N3O6
Molecular Weight	331.28
Exact Mass	331.08
CAS #	2412056-27-8
PubChem CID	146410371
Appearance	Light yellow to green yellow solid powder
LogP	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	24
Complexity	618
Defined Atom Stereocenter Count	0
SMILES	OC(=O)CNC1C=CC2C(N(C(=O)C=2C=1)C1C(=O)NC(=O)CC1)=O
InChi Key	ZATMCTCUKSYXHM-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H13N3O6/c19-11-4-3-10(13(22)17-11)18-14(23)8-2-1-7(16-6-12(20)21)5-9(8)15(18)24/h1-2,5,10,16H,3-4,6H2,(H,20,21)(H,17,19,22)
Chemical Name	2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]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

Targets	trk[1]
References	[1]. Tropomyosin receptor kinase (trk) degradation compounds and methods of use. Patent WO2021170109A1.

Solubility Data

Solubility (In Vitro)

DMSO :~33.33 mg/mL (~100.61 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.28 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 20.8 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: ≥ 2.08 mg/mL (6.28 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 20.8 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	3.0186 mL	15.0930 mL	30.1859 mL
	5 mM	0.6037 mL	3.0186 mL	6.0372 mL
	10 mM	0.3019 mL	1.5093 mL	3.0186 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.