Physicochemical Properties
| Molecular Formula | C30H29FN6O4 |
| Molecular Weight | 556.59 |
| 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 | IDH1 14.93 nM (IC50) |
| ln Vitro | Mutant IDH1/NAMPT-IN-1 (0.5-2 μM; 48 h) can dose-dependently reduce the 2-HG level in U87 MG-IDH1R132H cells[1]. Mutant IDH1/NAMPT-IN-1 has antiproliferative activity against U87 MG with IC50=1.26 μM (24 h), 0.77 μM (48 h), 0.42 μM (72 h). Mutant IDH1/NAMPT-IN-1 has antiproliferative activity against U87 MG with IC50=0.89 μM (24 h), 0.47 μM (48 h), 0.32 μM (72 h)][1]. Mutant IDH1/NAMPT-IN (0.5 μM; 6 h) increases the thermostability of NAMPT and IDH1R132H in U87 MG-IDH1R132H cells[1]. Mutant IDH1/NAMPT-IN-1 (0.1-2 μM; 48 h) induces apoptosis in U87 MG-IDH1R132H cells in a dose-dependent manner[1]. Apoptosis Analysis[1] Cell Line: U87 MG-IDH1R132H Concentration: 0.1 μM, 0.5 μM, 1 μM, 2 μM Incubation Time: 48 h Result: The apoptosis rate at the concentration of 2 μM was significantly higher than that of the combined group of AG-120 (HY-18767) and FK866 (HY-50876). |
| ln Vivo | Mutant IDH1/NAMPT-IN-1 (iv; 10-40 mg/kg; twice a day for 35 days) can inhibit tumor growth in BALB/c nude mice in a dose-dependent manner[1]. Mutant IDH1/NAMPT-IN-1 (iv; 400 mg/kg; single dose) is safe in ICR mice[1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: U87 MG-IDH1R132H Concentration: 0.5 μM Incubation Duration: 6 h Experimental Results: Reduced the expression levels of IDH1R132H, downstream protein TET2, and NAMPT, as well as the upstream protein NAPRT. Decreased the expression of H3K4me3 and H3K27me3. |
| Animal Protocol |
Animal/Disease Models:BALB/c nude mice[1] Doses: 10, 20, and 40 mg/kg Route of Administration: i.v.; twice daily for 35 days Experimental Results: Median survival times were 25.5, 30.5, and 34 days for the low, middle, and high dose groups, respectively. 40 mg/kg group significantly prolonged survival time in mice and showed superior efficacy compared to FK866 (HY-50876) and IDH305 (HY-104036). Alleviated weight loss in mice. |
| References |
[1]. Discovery of Novel Dual Inhibitors Targeting Mutant IDH1 and NAMPT for the Treatment of Glioma with IDH1Mutation. J Med Chem. 2024 Apr 23. |
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 | 1.7967 mL | 8.9833 mL | 17.9665 mL | |
| 5 mM | 0.3593 mL | 1.7967 mL | 3.5933 mL | |
| 10 mM | 0.1797 mL | 0.8983 mL | 1.7967 mL |