Physicochemical Properties
| Molecular Formula | C23H27N7O |
| Molecular Weight | 417.51 |
| CAS # | 2725056-38-0 |
| 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
| ln Vitro | ALK5-IN-79 (1000 nM; 2 hours) has strong to moderate inhibitory activity (inhibition rate greater than 20%) against ALK5, SRC, LCK, BRAF (V600E), ET, PDGFRα, EGFR and KDR[1]. ALK5-IN-79 (0, 0.125, 0.25, 0.5, 1.0 and 2.0 μM; 1 hour) inhibits the phosphorylation of smad3 in a dose-dependent manner[1]. |
| ln Vivo | ALK5-IN-79 (300 mg/kg, intraperitoneal injection every day for 7 consecutive days) did not cause significant weight loss in mice and has in-depth in vivo safety studies [1]. ALK5-IN-79 (10 mg/kg and 50 mg/kg intravenous injection every other day for 24 consecutive days) showed tumor growth inhibition rates of 61.9% and 80.5% in the syngeneic model, and ALK5-IN-79 (10 mg/kg and 50 mg/kg intravenous injection every other day for 24 consecutive days) showed tumor growth inhibition rates of 62.1% and 75.6% in the PANC-1 subcutaneous xenograft model. ALK5-IN-79 inhibited the growth of pancreatic cancer tumors in a dose-dependent manner [1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: Abnormal proliferation of cancer associated fibroblasts Concentration: 0-2.0 μM Incubation Duration: 1 h Experimental Results: ALK5-IN-79 blocked the TGF-β1 induced upregulation of collagen I (Col1) and α-SMA at mRNA and protein levels, i.e., the targeted genes of samd 3. ALK5-IN-79 led to the reduced secretion of Col 1. |
| Animal Protocol |
Animal/Disease Models:Pan02 syngeneic model and PANC-1 subcutaneous xenograft mode Doses: 10mg/kg and 50mg/kg ; every other day for 24 days Route of Administration: Intravenous injection (i.v.) Experimental Results: Inhibited the growth of pancreatic cancer tumors in a dose-dependent manner |
| References |
[1]. Yubo Wang et al. Design, synthesis and evaluation of a pyrazolo[3,4-d]pyrimidine derivative as a novel and potent TGFβ1R1 inhibitor. European Journal of Medicinal Chemistry. Volume 271, 5 May 2024, 116395 |
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 | 2.3952 mL | 11.9758 mL | 23.9515 mL | |
| 5 mM | 0.4790 mL | 2.3952 mL | 4.7903 mL | |
| 10 mM | 0.2395 mL | 1.1976 mL | 2.3952 mL |