Aspartyl-alanyl-diketopiperazine (DA-DKP) is an Immune-modulatory molecule generated by N-terminal cleavage and cyclization of human albumin, which regulates inflammatory immune responses through molecular pathways associated with T lymphocyte anergy.

Physicochemical Properties

Molecular Formula	C7H10N2O4
Molecular Weight	186.1653
Exact Mass	186.064
CAS #	110954-19-3
PubChem CID	9815453
Appearance	White to off-white solid powder
LogP	-1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Complexity	263
Defined Atom Stereocenter Count	2
SMILES	C[C@H]1C(=O)N[C@H](C(=O)N1)CC(=O)O
InChi Key	RVLCUCVJZVRNDC-IMJSIDKUSA-N
InChi Code	InChI=1S/C7H10N2O4/c1-3-6(12)9-4(2-5(10)11)7(13)8-3/h3-4H,2H2,1H3,(H,8,13)(H,9,12)(H,10,11)/t3-,4-/m0/s1
Chemical Name	2-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]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

Additional Infomation

Aspartyl-alanyl-diketopiperazine is under investigation in clinical trial NCT03349645 (An Open Label Extension Study to Assess the Safety of Long-Term Treatment With Ampion for Severe OA of the Knee).

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~671.43 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (11.17 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 (11.17 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (11.17 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 20.8 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	5.3714 mL	26.8572 mL	53.7143 mL
	5 mM	1.0743 mL	5.3714 mL	10.7429 mL
	10 mM	0.5371 mL	2.6857 mL	5.3714 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.