Physicochemical Properties
| Molecular Formula | C20H21N5OS |
| Molecular Weight | 379.48 |
| 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 | In the G2/M phase, TACC3 inhibitor 1 (compound 7g)(1, 2, 4 µM; 36 h) causes cell cycle arrest and apoptosis [1]. Intracellular ROS generation is induced and mitochondrial membrane potential is reduced by TACC3 inhibitor 1 (1, 2, 4 µM; 36 h) [1]. The migration and invasion of U87 cells are inhibited by TACC3 inhibitor 1 (1, 2, 4 µM; 24 h) [1]. |
| ln Vivo | In mice, TACC3 inhibitor 1 (20 mg/kg; intraperitoneal; daily for 20 days) exhibits anti-tumor efficacy [1]. |
| Cell Assay |
Cell Proliferation Assay[1] Cell Types: U251, U87, MDA-MB-231, JIMT-1, SKOV-3, HLF-1 cells Tested Concentrations: 0-100 µM Incubation Duration: 24 h Experimental Results: demonstrated antiproliferative activities with IC50s of 5.61, 3.29, 6.46, 4.84, 8.21, 23.11 µM for U251, U87, MDA-MB-231, JIMT-1, SKOV-3, HLF-1 cells, respectively. Cell Cycle Analysis[1] Cell Types: U87 cells Tested Concentrations: 1, 2, 4 µM Incubation Duration: 36 h Experimental Results: Induced cell cycle arrest at G2/M phase with the 41.2% cells at G2/M phase at 4 µM. Apoptosis Analysis[1] Cell Types: U87 cells Tested Concentrations: 1, 2, 4 µM Incubation Duration: 36 h Experimental Results: Induced apoptosis in a dose-dependent manner with the percentage of early apoptotic cells increased from 4.49% in control group to 21.42%, late apoptotic cells increased from 0.52% to 26.72% at 4 µM. |
| Animal Protocol |
Animal/Disease Models: Sixweeks old BALB/c nude mice (U87 xenograft model)[1] Doses: 20 mg/kg Route of Administration: Ip; daily for 20 days Experimental Results: demonstrated a significant tumor growth regression and no observable toxicity during the administration period and had no effects on the body weight. |
| References | [1]. Zhao W, et al. Discovery of novel analogs of KHS101 as transforming acidic coiled coil containing protein 3 (TACC3) inhibitors for the treatment of glioblastoma. Eur J Med Chem. 2022 Dec 15;244:114874. |
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 | 2.6352 mL | 13.1759 mL | 26.3518 mL | |
| 5 mM | 0.5270 mL | 2.6352 mL | 5.2704 mL | |
| 10 mM | 0.2635 mL | 1.3176 mL | 2.6352 mL |