Physicochemical Properties
| Molecular Formula | C19H28CLN5NAO9P |
| Molecular Weight | 559.87 |
| Related CAS # | OP-5244;2381268-71-7 |
| Appearance | White to off-white solid powder |
| 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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | IC50: 0.25 nM (CD73)[1] |
| ln Vitro | In H1568 (NSCLC) cells, OP-5244 suppresses the synthesis of adenosine (ADO) with an EC50 of 0.79±0.38 nM[1]. With an EC50 of 0.22 nM, OP-5244 inhibits the hydrolysis of AMP to ADO in CD8+ T lymphocytes obtained from peripheral blood[1]. AMP-suppressed CD8+ T cell proliferation and cytokine production are restored by OP-5244 (4.1-1000 nM; 96 h)[1]. Complete inhibition of ADO synthesis in human and murine cancer cell lines (H1568 and EMT6, respectively) is observed with OP-5244 (0.01 nM-10 μM)[1]. |
| ln Vivo | As demonstrated by the reduction of tumor growth in mice, OP-5244 (15 mg/kg/day; sc for 13 d) demonstrates anti-tumor effects when used alone[1]. Immunosuppression in mice is reversed by OP-5244 (150 mg/kg; po twice daily for 16 days)[1]. It also boosts CD8+ T cell infiltration. OP-5244 (0.2 mg/kg; iv) has low steady-state volume of distribution (rat 0.22, dog 0.29, cyno 0.10 L/kg/h) and intermediate plasma clearance (rat 0.18, dog 1.22, cyno 4.6 h)[1]. As a result, it exhibits terminal elimination half-lives (rat 8.5, dog 0.82, cyno 4.6 h). The Cmax and AUC of OP-5244 (10 mg/kg; po) are 0.82, 1.25, and 1.72 μM and 14.2 μM·h, respectively, in rats and dogs, respectively. |
| Animal Protocol |
Animal/Disease Models: balb/c (Bagg ALBino) mouse with breast cancer[1] Doses: 15 mg/kg/day Route of Administration: Sc for 13 days Experimental Results: Inhibited tumor growth. demonstrated a 95% lower ADO/AMP ratio compared to that of the vehicle group. |
| References |
[1]. Orally Bioavailable Small Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression Through Blockade of Adenosine Production. J Med Chem. 2020 Aug 31. |
Solubility Data
| Solubility (In Vitro) | DMSO :~33.33 mg/mL (~59.53 mM) |
| 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 (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *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). 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)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7861 mL | 8.9306 mL | 17.8613 mL | |
| 5 mM | 0.3572 mL | 1.7861 mL | 3.5723 mL | |
| 10 mM | 0.1786 mL | 0.8931 mL | 1.7861 mL |