Physicochemical Properties
| Molecular Formula | C19H21F3N2O2 |
| Molecular Weight | 366.377455472946 |
| CAS # | 2765255-93-2 |
| PubChem CID | 164628567 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 26 |
| Complexity | 478 |
| Defined Atom Stereocenter Count | 0 |
| 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
| Targets | TRPM2 |
| ln Vitro | In several species, including chimpanzees (IC50=100 nM), rats (IC50=25 nM), and humans (IC50=126 nM), JNJ-28583113 inhibits TRPM2 [1]. Electrophysical features of JNJ-28583113 (3 nM, 30 nM, and 1 μM; 200 seconds) are observed in ADPR-induced currents measured in hTRPM2-HEK-induced cells [1]. Up to 1mM H2O2, JNJ-28583113 (10 μM; 1 hour) inhibits H2O2-induced cell death. Additionally, HeLa cells are shielded against morphological alterations caused by H2O2 (10 μM; 1 hour) by JNJ-28583113 (10 μM; 1 hour) [1]. |
| ln Vivo | JNJ-28583113 is a brain-penetrating drug that reaches 400 ng/mL in the cerebral ventricles (10 mg/kg, 2 ml/kg; sc; single dose)[1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: hTRPM2-HEK cells Tested Concentrations: 10 μM Incubation Duration: 30 min Experimental Results: Recovered phosphorylation of GSK3α and β subunits which inhibited by H2O2 (300 μM; 10 min). |
| Animal Protocol |
Animal/Disease Models: Harlan Sprague Dawley Rats (400 g)[1] Doses: 10 mg/kg, 2 mL/kg Route of Administration: SC; sampled at 0.5, 2, or 6 h post dosing Experimental Results: Quickly metabolized in the plasma, while it demonstrated high levels in plasma and low levels in the brain. |
| References |
[1]. Pharmacology of JNJ-28583113: A novel TRPM2 antagonist. Eur J Pharmacol. 2019 Jun 15;853:299-307. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (272.94 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 | 2.7294 mL | 13.6470 mL | 27.2941 mL | |
| 5 mM | 0.5459 mL | 2.7294 mL | 5.4588 mL | |
| 10 mM | 0.2729 mL | 1.3647 mL | 2.7294 mL |