| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
PSB-06126 primarily targets nucleoside triphosphate diphosphohydrolase 3 (NTPDase3/CD39L3), an ectonucleotidase that hydrolyzes extracellular ATP and ADP to AMP. The compound inhibits rat NTPDase3 with a Ki value of 2.22 µM and exhibits selectivity over NTPDase1 (Ki = 0.33 µM for rat NTPDase1) and NTPDase2 (Ki = 19.1 µM for rat NTPDase2). Notably, while the Ki for rat NTPDase1 is lower (0.33 µM), PSB-06126 shows functional selectivity for NTPDase3 in cellular contexts. In human NTPDase3, the compound exhibits an IC50 value of 7.76 µM and a Ki value of 4.39 µM. PSB-06126 also inhibits the purinergic P2Y4 receptor (IC50 = 7.72 µM) in calcium mobilization assays. Additionally, it activates KCa/BK channels in rabbit bladder smooth muscle with an EC50 of 0.841 µM in inside/out patch-clamp assays. The compound inhibits 5'-nucleotidase with a Ki value of 0.53 µM in rat tissues. This multi-target profile should be considered when interpreting experimental results, though the primary research application focuses on NTPDase3 inhibition.
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| ln Vitro |
By activating P2X7 and P2Y6 receptors, PSB 06126 (3 μM) inhibits overexpressed NTPDase3 in mesenchymal stem cells (MSCs), increasing extracellular ATP levels and promoting osteogenic differentiation and mineralization of MSCs [3].
In vitro studies demonstrate that PSB-06126 (3 µM) effectively blocks NTPDase3 overexpressed in mesenchymal stem cells (MSCs), leading to increased extracellular ATP levels. This elevation of extracellular ATP promotes osteogenic differentiation and mineralization of MSCs through activation of P2X7 and P2Y6 receptors. The compound selectively increases extracellular ATP in bone marrow-derived MSCs from postmenopausal women compared to young women at 3 µM concentration, suggesting age-dependent differences in NTPDase3 activity. In enzyme assays, PSB-06126 inhibits rat NTPDase3 with Ki = 2.22 µM, demonstrating selectivity over NTPDase1 (Ki = 0.33 µM) and NTPDase2 (Ki = 19.1 µM). The compound also inhibits human NTPDase3 with IC50 = 7.76 µM and Ki = 4.39 µM. In P2Y4 receptor-expressing 1321N1 cells, PSB-06126 inhibits UTP-induced calcium mobilization with IC50 = 7.72 µM. The compound activates KCa/BK channels in rabbit bladder smooth muscle with EC50 = 0.841 µM in inside/out patch-clamp experiments. These diverse activities highlight the compound's utility as a pharmacological tool for studying purinergic signaling pathways. |
| ln Vivo |
In vivo studies with PSB-06126 are not extensively documented in the published literature. The compound is primarily used as a research tool for in vitro and ex vivo studies of purinergic signaling and bone metabolism. Based on its mechanism of action—blocking NTPDase3 activity to increase extracellular ATP levels—potential in vivo applications could include studies of bone mineralization, where elevated ATP activates P2X7 and P2Y6 receptors to promote osteogenic differentiation. The compound's ability to selectively increase ATP levels in MSCs from postmenopausal women suggests potential relevance for studying age-related bone loss and osteoporosis. However, specific in vivo efficacy data, including administration routes, dosing regimens, and therapeutic outcomes in animal models, are limited in publicly available sources. Researchers using PSB-06126 for in vivo studies would need to determine appropriate dosing based on the compound's in vitro potency and expected bioavailability. The compound is supplied for research use only and is not intended for human therapeutic applications.
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| Enzyme Assay |
In vitro enzyme assays for NTPDase activity are typically performed using the malachite green phosphate detection method or HPLC-based nucleotide hydrolysis assays. The enzyme (NTPDase3 or other isoforms) is incubated with varying concentrations of PSB-06126 and ATP or ADP as substrate. The reaction is terminated after a defined incubation period, and the released inorganic phosphate is quantified colorimetrically using malachite green reagent. Ki values are determined by fitting the data to appropriate enzyme kinetics models. For rat NTPDase3, Ki = 2.22 µM has been reported; for rat NTPDase1, Ki = 0.33 µM; for rat NTPDase2, Ki = 19.1 µM. For human NTPDase3, IC50 = 7.76 µM and Ki = 4.39 µM have been determined. Selectivity is assessed by comparing inhibition across different NTPDase isoforms using the same assay conditions. 5'-nucleotidase activity is measured using AMP as substrate with similar phosphate detection methods (rat 5'-nucleotidase Ki = 0.53 µM).
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| Cell Assay |
Cell-based assays with PSB-06126 are conducted in mesenchymal stem cells (MSCs) and other relevant cell types. MSCs are treated with PSB-06126 at 3 µM concentration, and extracellular ATP levels are measured using the luciferin-luciferase bioluminescence assay, which provides sensitive and quantitative detection of ATP. Osteogenic differentiation is assessed by alkaline phosphatase (ALP) staining and activity assays, as well as matrix mineralization quantified by alizarin red staining of calcium deposits. P2Y4 receptor calcium mobilization assays are performed in 1321N1 cells expressing the P2Y4 receptor; cells are loaded with calcium-sensitive fluorescent dyes (e.g., Fura-2 or Fluo-4), and intracellular calcium changes in response to UTP stimulation are measured in the presence or absence of PSB-06126. Patch-clamp electrophysiology is used to study KCa/BK channel activation in rabbit bladder smooth muscle cells, with PSB-06126 applied to the intracellular side of inside/out membrane patches. These complementary assays characterize the compound's effects on purinergic signaling and downstream cellular responses.
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| Animal Protocol |
In vivo experimental protocols for PSB-06126 are not well-documented in publicly available literature. Typical study designs for NTPDase inhibitors would involve administration of the compound in rodent models to evaluate effects on bone mineralization, purinergic signaling, or other relevant physiological processes. Doses would be extrapolated from in vitro potency data; for example, 3 µM concentration in cell culture corresponds to approximately 1.4 mg/kg assuming standard distribution volume, though actual effective doses would need to be determined empirically. Route of administration (oral, intraperitoneal, intravenous, or subcutaneous) would depend on the compound's solubility and bioavailability characteristics. Treatment duration and frequency would vary based on the experimental objectives, ranging from acute single-dose studies to chronic multi-day or multi-week regimens. Endpoints would include tissue ATP levels, markers of bone formation/resorption, histological analysis of bone tissue, and assessment of NTPDase3 inhibition in target tissues. Researchers should consult primary literature for updated protocols and consult the compound's datasheet for handling and formulation recommendations.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PSB-06126 have not been extensively characterized in published literature. As a small molecule NTPDase inhibitor with molecular weight 466.44, the compound is expected to have moderate oral bioavailability if administered orally, though specific parameters such as half-life, clearance, volume of distribution, and maximum plasma concentration have not been reported. The compound is soluble in DMSO (100 mM) and ethanol (50 mM), which facilitates preparation of stock solutions for in vitro studies. For in vivo applications, formulation would need to be optimized based on the compound's solubility and stability. The presence of the sulfonate group may limit passive membrane permeability, potentially affecting oral bioavailability and tissue distribution. The compound's sodium salt form enhances aqueous solubility compared to the free acid. Researchers should conduct appropriate pharmacokinetic studies if intending to use PSB-06126 in vivo, including determination of plasma protein binding, metabolic stability, and elimination pathways. The compound is stable when stored as powder at -20°C for up to 3 years and in solution at -20°C for up to 6 months.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for PSB-06126 are not available in the public domain. The compound is intended for research use only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling the compound, including use of appropriate personal protective equipment and working in a well-ventilated area. No specific toxicity data (e.g., LD50, organ-specific toxicity, genotoxicity, or carcinogenicity) have been reported in the available literature. As with all research chemicals, potential hazards should be assessed based on the compound's chemical structure and properties. The anthraquinone core structure may raise concerns about potential genotoxicity, though this has not been specifically evaluated for PSB-06126. Researchers should consult the material safety data sheet (MSDS) for the compound and follow institutional safety guidelines. The compound should be stored properly and disposed of in accordance with applicable regulations. For any in vivo use, appropriate toxicity studies should be conducted to establish safe dosing ranges.
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| References |
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| Additional Infomation |
PSB-06126 is a research-grade NTPDase3 inhibitor with ≥98% purity (HPLC). The compound has the CAS number 1052089-16-3, molecular formula C24H15N2NaO5S, and molecular weight 466.44. Chemical name: 1-amino-4-(naphthalen-1-ylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid sodium salt. Synonyms include PSB 06126. The compound is supplied as a solid and should be stored at room temperature. Solubility: DMSO (100 mM) and ethanol (50 mM). The compound was developed by Baqi et al. (2009) through structure-activity relationship studies of anthraquinone derivatives derived from bromaminic acid as inhibitors of ectonucleoside triphosphate diphosphohydrolases (E-NTPDases), published in Purinergic Signalling 5:91. The compound is useful for studying the role of NTPDases in purinergic signaling and may aid in the exploration of therapeutic strategies targeting related pathological conditions, including bone disorders, inflammation, and cardiovascular diseases. Not approved for clinical use; for research purposes only.
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| Molecular Formula |
C24H15N2NAO5S
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| Molecular Weight |
466.441075563431
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| Exact Mass |
466.06
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| CAS # |
1052089-16-3
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| Related CAS # |
1052089-16-3 (sodium);737817-24-2 (free acid);
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| PubChem CID |
24868313
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| Appearance |
Brown to black solid powder
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| LogP |
5.58
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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 |
33
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| Complexity |
861
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C2C(=C1)C=CC=C2NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]
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| InChi Key |
BLOBABILSRPNHR-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C24H16N2O5S.Na/c25-22-19(32(29,30)31)12-18(26-17-11-5-7-13-6-1-2-8-14(13)17)20-21(22)24(28)16-10-4-3-9-15(16)23(20)27;/h1-12,26H,25H2,(H,29,30,31);/q;+1/p-1
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| Chemical Name |
sodium;1-amino-4-(naphthalen-1-ylamino)-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) |
DMSO : ~125 mg/mL (~267.99 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.46 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 (4.46 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 | 2.1439 mL | 10.7195 mL | 21.4390 mL | |
| 5 mM | 0.4288 mL | 2.1439 mL | 4.2878 mL | |
| 10 mM | 0.2144 mL | 1.0719 mL | 2.1439 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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