Physicochemical Properties
| Molecular Formula | C19H22F6N8O2 |
| Molecular Weight | 508.42 |
| Appearance | Typically exists as solid at room temperature |
| 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 | PARP-7 0.6 nM (IC50) |
| ln Vitro | PARP7-IN-22 (XLY-1) (5μM - 20μM, 14 days) had no significant effect on the activity of CT26 cells[1]. PARP7-IN-22 (XLY-1) (49 nM - 4000 nM, 72 hours) significantly enhanced the expression of IFN-β and CXCL10 and the phosphorylation of STAT1 in a dose-dependent manner[1]. PARP7-IN-22 (XLY-1) (49 nM - 4000 nM, 72 hours) treatment significantly increased the phosphorylation of protein kinase TBK 1[1]. PARP7-IN-22 (XLY-1) (49 nM - 4000 nM, 72 hours) effectively promoted the type I interferon signaling cascade, thereby exerting an anti-tumor effect[1]. RT-PCR[1] Cell Line: CT26 cells Concentration: 49 nM-4000 nM Incubation Time: 72 h Result: Resulted in a gradual increase in the mRNA levels of IFN-β and CXCL10 as the dose ranged from 49 nM to 4000 nM. |
| ln Vivo | PARP7-IN-22 (XLY-1) (male rats, 5 mg/kg, intravenous injection; 30 mg/kg, oral administration; 0.5-24 hours) can be used for further in vivo pharmacodynamic studies[1]. PARP7-IN-22 (CT26 homograft model, 25 or 50 mg/kg, oral administration, 14 days) showed excellent anti-tumor proliferation effects in the CT26 homograft model[1]. PARP7-IN-22 (CT26 homograft model, 50 mg/kg, oral administration, 14 days) promoted T cell infiltration into tumor tissues and exhibited on-target effects[1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: CT26 Tested Concentrations: 49 nM-4000 nM Incubation Duration: 72 h Experimental Results: Resulted in a dose-dependent increase in the protein levels of STAT1 and TBK1, with STAT1 protein levels showing a dose-dependent increase in the range of 49 nM to 4000 nM. |
| References |
[1]. Discovery of highly potent PARP7 inhibitors for cancer immunotherapy[J]. Bioorganic Chemistry, 2024, 148: 107469. |
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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9669 mL | 9.8344 mL | 19.6688 mL | |
| 5 mM | 0.3934 mL | 1.9669 mL | 3.9338 mL | |
| 10 mM | 0.1967 mL | 0.9834 mL | 1.9669 mL |