| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
The compound targets NTPDases (nucleoside triphosphate diphosphohydrolases), specifically the isoforms NTPDase1 (CD39), NTPDase2, and NTPDase3. These are ectonucleotidases expressed on the surface of many cell types, including endothelial cells, immune cells, and platelets. NTPDases hydrolyze ATP and ADP to AMP, controlling the levels of extracellular purines. By inhibiting these enzymes, PSB-069 increases extracellular ATP and ADP levels, which act on P2X and P2Y receptors to modulate inflammation, thrombosis, and neurotransmission. PSB-069 is a non-selective inhibitor with similar potency across NTPDase1, 2, and 3 (Ki values of 16-18 microM).
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| ln Vitro |
PSB069 is a non-selective inhibitor of NTPDases1,2,3 (Ki=16–18 μM) [1].
PSB-069 is an inhibitor of NTPDase1 (CD39), NTPDase2, and NTPDase3, with Ki values of approximately 16-18 microM for all three isozymes in rat enzyme assays. The compound is cell-permeable and well-tolerated in vivo. By increasing extracellular ATP and ADP levels, PSB-069 modulates purinergic signaling, which regulates inflammation (ATP activates P2X7 receptors, promoting inflammasome activation), platelet aggregation (ADP is a potent platelet activator), and vascular tone. |
| ln Vivo |
In vivo data for PSB-069 are not detailed in the literature. As an NTPDase inhibitor that increases extracellular ATP and ADP levels, the compound would be expected to show pro-inflammatory and pro-thrombotic effects in animal models. For example, it could enhance platelet aggregation in vivo, promote inflammation in models of sepsis or ischemia-reperfusion injury, or modulate immune responses in models of cancer or autoimmunity. The compound is described as “well-tolerated” in vivo, indicating that it may be used for pre-clinical studies.
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| Enzyme Assay |
The NTPDase activity assay is performed using a malachite green phosphate detection method. Purified recombinant rat or human NTPDase1, 2, or 3 is incubated with ATP (as substrate) in reaction buffer (50 mM Tris-HCl, pH 7.5, 5 mM CaCl2, 0.1 mg/mL BSA) at 37degC. Varying concentrations of PSB-069 (0-100 microM) are added. The reaction is initiated by the addition of ATP (1 mM), allowed to proceed for 15-30 minutes, and stopped by the addition of malachite green reagent. The absorbance at 620 nm is measured, which is proportional to the inorganic phosphate (Pi) released from ATP. The Ki value is calculated from the dose-response curve. Alternatively, a fluorometric assay using the substrate ATPgammaS can be employed.
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| Cell Assay |
Cells expressing NTPDases (e.g., endothelial cells, immune cells) are used to measure enzyme activity. A typical protocol uses RAW264.7 macrophages (which express NTPDase1) or 1321N1 human astrocytoma cells transfected with NTPDase2 or 3. Cells are seeded in 96-well plates and treated with varying concentrations of PSB-069 (1-100 microM) for 30-60 minutes. ATP (100-500 microM) is then added to the culture medium, and the plates are incubated at 37degC for 30-60 minutes. The culture supernatant is collected, and the concentration of inorganic phosphate released is measured using a malachite green assay. The reduction in phosphate production compared to untreated controls indicates NTPDase inhibition. Alternatively, the products of ATP hydrolysis (ADP and AMP) can be measured by HPLC.
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| Animal Protocol |
In vivo animal procedures are not detailed. A typical protocol for studying NTPDase inhibition in vivo would involve the use of a mouse model of thrombosis (e.g., ferric chloride-induced carotid artery thrombosis). Male C57BL/6 mice are administered PSB-069 via intraperitoneal injection (e.g., 10-50 mg/kg) 30 minutes before the induction of thrombosis. The carotid artery is exposed and a piece of filter paper saturated with 10% FeCl3 is applied to the artery for 3 minutes. Blood flow is monitored using a Doppler flow probe, and the time to occlusive thrombosis (arterial occlusion time) is measured. PSB-069 would be expected to shorten occlusion time due to increased ADP levels and enhanced platelet activation.
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| ADME/Pharmacokinetics |
Specific PK parameters for PSB-069 are not detailed. As a small-molecule NTPDase inhibitor (MW 450.83), the compound is described as “well-tolerated” in vivo, suggesting it has acceptable PK properties for pre-clinical use. Key PK parameters such as bioavailability, half-life, and tissue distribution would require empirical determination. The compound is soluble in DMSO (45 mg/mL), which can be used for in vivo formulation.
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| Toxicity/Toxicokinetics |
PSB-069 is described as “well-tolerated” in vivo, but specific toxicological data are not detailed. As an NTPDase inhibitor that increases extracellular ATP and ADP levels, the compound may have pro-inflammatory and pro-thrombotic effects at high doses. ATP is a danger signal that activates P2X7 receptors and promotes IL-1beta release via inflammasome activation, potentially causing systemic inflammation. ADP is a potent platelet activator and could lead to thrombosis. Therefore, careful dose optimization is required. Standard toxicological endpoints (body weight, clinical signs, platelet count, coagulation parameters) would be assessed in animal studies.
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| References | |
| Additional Infomation |
PSB-069 is a research-grade chemical tool for studying NTPDase biology. NTPDase1 (CD39) is a key ectonucleotidase that converts ATP/ADP to AMP. CD39 is expressed on regulatory T cells (Tregs), and its activity contributes to the generation of adenosine, which has immunosuppressive effects. CD39 inhibitors are being investigated for cancer immunotherapy (by blocking adenosine generation) and for cardiovascular diseases. PSB-069 is a non-selective tool that inhibits NTPDase1, 2, and 3, allowing researchers to probe the role of these enzymes in inflammation and thrombosis. As of the latest updates, it has not been approved for clinical use.
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| Molecular Formula |
C20H12CLN2NAO5S
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| Molecular Weight |
450.827453613281
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| Exact Mass |
450.005
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| CAS # |
78510-31-3
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| PubChem CID |
24868311
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| Appearance |
Pale purple to purple solid powder
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| LogP |
5.08
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
30
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| Complexity |
768
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)Cl)S(=O)(=O)[O-])N.[Na+]
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| InChi Key |
KINIBOSGQKLOIT-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C20H13ClN2O5S.Na/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25;/h1-9,23H,22H2,(H,26,27,28);/q;+1/p-1
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| Chemical Name |
sodium;1-amino-4-(4-chloroanilino)-9,10-dioxoanthracene-2-sulfonate
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2181 mL | 11.0907 mL | 22.1813 mL | |
| 5 mM | 0.4436 mL | 2.2181 mL | 4.4363 mL | |
| 10 mM | 0.2218 mL | 1.1091 mL | 2.2181 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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