Physicochemical Properties
| CAS # | 2920221-53-8 |
| 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 |
| 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 | GPX4[1] |
| ln Vitro | The viability of HT1080 cells is inhibited by GPX4-IN-4 (Compound 24; 0-1000 nM; 0-24 h) in a concentration- and time-dependent manner[1]. NCI-H1703 cell viability is inhibited by GPX4-IN-4 (0-10 μM; 72 h), with EC50s of 0.117 μM and 4.74 μM without and with Fer-1, respectively[1]. |
| ln Vivo | GPX4-IN-4 (Compound 24; 100 and 200 mg/kg; ip; once) stimulates the expression of Parkinson's disease markers in mice by acting on GPX4 in the kidney[1]. On the formation of mice WSU-DLCL2 tumors, GPX4-IN-4 (50 mg/kg; ip; daily for 20 days) exhibited no effect; however, tumor tissue blocks showed partial target binding[1]. |
| Cell Assay |
Cell Viability Assay[1] Cell Types: HT1080 (GPX4 dependent) cells Tested Concentrations: 0-1000 nM Incubation Duration: 0, 1.5, 3, 6 and 24 h Experimental Results: Inhibited cell viability with EC50s of 0.85, 0.27, 0.17 and 0.09 μM at 1.5, 3, 6 and 24 h, respectively. Cell Viability Assay[1] Cell Types: NCI-H1703 Tested Concentrations: 0-10 μM Incubation Duration: 72 h Experimental Results: Inhibited cell viability with EC50s of 0.117 μM and 4.74 μM without and with Fer-1, respectively. |
| Animal Protocol |
Animal/Disease Models: SCID/Beige mice[1] Doses: 100 and 200 mg/kg Route of Administration: IP, once Experimental Results: The GPX4 band was shifted. Engaged kidney GPX4 and induced PD markers. Animal/Disease Models: SCID/Beige mice[1] Doses: 30 and 100 mg/kg Route of Administration: IP (pharmacokinetic/PK Analysis) Experimental Results: PK Properties of GPX4-IN-4 (Compound 24)[1] Dose t1/2 (h) Cmax (μg/mL) AUC (μg*h/ mL) 30 (IP) 0.5 0.92 (±0.24) 1.89 (±0.17) 100 (IP) 1.7 5.31 (±0.53) 16.20 (±1.70) |
| References |
[1]. Discovery of a Potent Chloroacetamide GPX4 Inhibitor with Bioavailability to Enable Target Engagement in Mice, a Potential Tool Compound for Inducing Ferroptosis In Vivo. J Med Chem. 2023 Mar 23;66(6):3852-3865. |
Solubility Data
| 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 |
| 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.) |