Physicochemical Properties
| Molecular Formula | C21H26F2N8O3 |
| Molecular Weight | 476.48 |
| CAS # | 2764833-47-6 |
| Appearance | White to off-white solid powder |
| Density | 1.58±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted) |
| Boiling Point | 729.7±70.0 °C(predicted) |
| LogP | 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 | Ki67 PI3Kα 3.72 nM (IC50) PI3Kβ 36.29 nM (IC50) PI3Kδ 1.22 nM (IC50) PI3Kγ 17.09 nM (IC50) PI3K |
| ln Vitro | KTC1101 (0.1-50000 nM, 48 h) induced cell cycle arrest at the G1 phase in all tested cell lines (PC3, TMD8, HSC2, HSC4 and CAL33 cells) in a dose-dependent manner and had antiproliferative activity with IC50 ranging from 20 nM to 130 nM, but had no significant pro-apoptotic effect [1]. KTC1101 (0.1-1000 nM, 1 h) showed significant inhibitory activity against all PI3K isoforms in the Adapta kinase assay. The IC50 values of KTC1101 for PI3Kα, PI3Kβ, PI3Kδ and PI3Kγ were 3.72 nM, 36.29 nM, 1.22 nM and 17.09 nM, respectively [1]. KTC1101 (0-125 nM, 48 h) showed effective inhibition of the PI3K signaling pathway in WB experiments, with reduced phosphorylation of PI3K downstream effectors AKT and mTOR [1]. |
| ln Vivo | KTC1101 (0-125 mg/kg orally daily for 14 days) can arrest tumor growth in mice bearing human tumor xenografts, with no signs of recurrence [1]. |
| Cell Assay |
Cell Viability Assay[1] Cell Types: 39 human tumor cell lines, PC3, TMD8, HSC2, HSC4, CAL33 cells, etc. Concentration: 0.1, 1, 10, 100, 1000, 25000, 50000 nM Incubation Duration: 48 h Experimental Results: Exhibited an average GI50 value of 23.4 nM across all cell lines tested, significantly lower than ZSTK474 (HY-50847) (320 nM) and Copanlisib (HY-15346) (134 nM). Western Blot Analysis[1] Cell Types: PC3 cells, TMD8 Tested Concentrations: 0, 5, 25, 125 nM Incubation Duration: 48 h Experimental Results: Showed better inhibitory performance in TMD8 cells compared with ZSTK474 (HY-50847) and Copanlisib (HY-15346). |
| References |
[1]. A novel pan-PI3K inhibitor KTC1101 synergizes with anti-PD-1 therapy by targeting tumor suppression and immune activation. Mol Cancer. 2024 Mar 14;23(1):54. |
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 | 2.0987 mL | 10.4936 mL | 20.9872 mL | |
| 5 mM | 0.4197 mL | 2.0987 mL | 4.1974 mL | |
| 10 mM | 0.2099 mL | 1.0494 mL | 2.0987 mL |