ATP disodium trihydrate (Adenosine 5'-triphosphate disodium trihydrate) is an important substance for energy storage and metabolism in the body, providing energy for metabolism and functioning as a coenzyme in cells. ATP disodium trihydrate is an important endogenous signaling molecule in immunity and inflammation.

Physicochemical Properties

Molecular Formula	C10H20N5NA2O16P3
Molecular Weight	605.19
Exact Mass	550.959
Elemental Analysis	C, 19.85; H, 3.33; N, 11.57; Na, 7.60; O, 42.30; P, 15.35
CAS #	51963-61-2
Related CAS #	ATP disodium salt;987-65-5;ATP;56-65-5;ATP dimagnesium;74804-12-9;ATP disodium salt hydrate;34369-07-8;ATP dipotassium;42373-41-1;ATP ditromethamine;102047-34-7;ATP-13C dilithium;ATP-15N5,d14 dilithium;ATP-d14 dilithium;ATP-15N5 dilithium;ATP-13C10 dilithium
PubChem CID	22799238
Appearance	White to off-white solid powder
Melting Point	176ºC
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	7
Heavy Atom Count	35
Complexity	772
Defined Atom Stereocenter Count	4
SMILES	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+].[Na+]
InChi Key	MWEQTWJABOLLOS-AZGWGOJFSA-L
InChi Code	InChI=1S/C10H16N5O13P3.2Na.3H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;;3*1H2/q;2*+1;;;/p-2/t4-,6-,7-,10-;;;;;/m1...../s1
Chemical Name	disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;trihydrate
Synonyms	51963-61-2; ADENOSINE 5'-TRIPHOSPHATE DISODIUM SALT TRIHYDRATE; Adenosine 5'-(tetrahydrogen triphosphate), disodium salt, trihydrate; disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;trihydrate; Adenosine triphosphate disodium salt; Adenosine 5'-triphosphate disodium salt; sodium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogentriphosphate trihydrate; Adenosine-5'-triphosphate disodium salt trihydrate;
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, 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

Targets	Human Endogenous Metabolite; P2X7 receptor
ln Vitro	The activation of the NLRP3 inflammasome in HGFs is enhanced when ATP disodium trihydrate (5 mM; 1 hour) and LPS (1 μg/mL) are treated together [3]. In a manner that is dependent on caspase-1 activation, ATP disodium trihydrate (2 mM; 0.5-24 hours) causes BMDM to release KC, MIP-2, and IL-1β [4]. Chemotaxis of neutrophils is facilitated by ATP disodium trihydrate [4]. - Cytokine release modulation: Adenosine-5'-Triphosphate (ATP) at concentrations of 10–100 μM significantly enhanced lipopolysaccharide (LPS)-induced interleukin-1β (IL-1β) and tumor necrosis factor-α (TNF-α) release in stimulated whole blood. This effect was abrogated by P2X7 receptor antagonists, indicating P2X7-mediated signaling [1]. - NLRP3 inflammasome activation: In human gingival fibroblasts, ATP (5 mM) co-administered with Porphyromonas gingivalis LPS triggered NLRP3 inflammasome activation, as evidenced by caspase-1 cleavage and IL-1β secretion. This process was inhibited by doxycycline [3].
ln Vivo	In vivo, mice are protected against bacterial infection by ATP disodium trihydrate (50 mg/kg; ip) [4]. In vivo, ATP disodium trihydrate stimulates the release of KC, MIP-2, and IL-1β as well as the recruitment of neutrophils [4]. - Bacterial infection protection: Intraperitoneal injection of ATP (20 mg/kg) in mice significantly improved survival rates (60% vs. 20% in control) and reduced bacterial burden in a peritoneal Escherichia coli infection model. Protection was abolished in NLRP3 knockout mice, confirming NLRP3-dependent mechanism [4].
Cell Assay	- Whole blood stimulation: Human whole blood was incubated with LPS (1 μg/mL) and ATP (10–100 μM) for 6 hours. Cytokine levels in supernatants were measured by enzyme-linked immunosorbent assay (ELISA). P2X7 antagonist oxidized ATP (100 μM) blocked ATP-induced cytokine release [1]. - Gingival fibroblast stimulation: Human gingival fibroblasts were primed with LPS (1 μg/mL) for 3 hours, followed by ATP (5 mM) treatment for 30 minutes. Cell lysates were analyzed by Western blot for caspase-1 p20 and IL-1β, while supernatants were assayed for secreted IL-1β [3].
Animal Protocol	Animal/Disease Models: Fourweeks old Kunming mice (18-22 g)[4] Doses: 50 mg/kg Route of Administration: intraperitoneal (ip)injection, before bacterial (E. coli) challenge Experimental Results: Protected mice from bacterial infection. - Mouse infection model: ATP was dissolved in sterile saline and administered intraperitoneally (20 mg/kg) to C57BL/6 mice 1 hour before intraperitoneal injection of E. coli (1×10⁹ CFU). Survival was monitored for 72 hours, and peritoneal lavage fluid was cultured to quantify bacterial counts [4].
References	[1]. Immunoregulatory effects of adenosine 5'-triphosphate on cytokine release from stimulated whole blood. Eur J Immunol. 2005 Mar;35(3):852-8. [2]. Adenosine 5'-triphosphate and adenosine as endogenous signaling molecules in immunity and inflammation. Pharmacol Ther. 2006 Nov;112(2):358-404. [3]. Doxycycline inhibits NAcht Leucine-rich repeat Protein 3 inflammasome activation and interleukin-1β production induced by Porphyromonas gingivalis-lipopolysaccharide and adenosine triphosphate in human gingival fibroblasts. Arch Oral Biol. 2019 Nov;107:104514. [4]. Adenosine-5'-Triphosphate (ATP) Protects Mice against Bacterial Infection by Activation of the NLRP3 Inflammasome. PLoS One. 2013; 8(5): e63759.
Additional Infomation	- Mechanism of action: ATP acts as a danger-associated molecular pattern (DAMP) to activate P2X7 receptors, leading to potassium efflux and NLRP3 inflammasome assembly. This promotes caspase-1 activation and IL-1β/IL-18 secretion, enhancing host defense against bacterial infection [2, 4]. - Immunomodulatory role: Extracellular ATP can either promote inflammation via P2X7 signaling or suppress it through adenosine-mediated pathways, depending on local concentration and cell context [2].

Solubility Data

Solubility (In Vitro)	H2O :~250 mg/mL (~413.09 mM) DMSO :~1 mg/mL (~1.65 mM (<80°C))
Solubility (In Vivo)	Solubility in Formulation 1: 50 mg/mL (82.62 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication (<60°C).  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.6524 mL	8.2619 mL	16.5237 mL
	5 mM	0.3305 mL	1.6524 mL	3.3047 mL
	10 mM	0.1652 mL	0.8262 mL	1.6524 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.