Physicochemical Properties
| Molecular Formula | C40H48N4O6 |
| Molecular Weight | 680.83 |
| 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 | EZH2 6.29 nM (IC50) HSP90 60.1 nM (IC50) |
| ln Vitro | EZH2/HSP90-IN-29 inhibits the proliferation of TMZ-resistant glioblastoma (GBM) by regulating the balance of EZH2 and HSP90 molecular chaperones (IC50 of 1.015 μM)[1]. EZH2/HSP90-IN-29 (5 μM) reduces centromere protein (CENP), CDK1 and cyclin B1, thereby regulating centromere assembly and mitosis, and arresting the cell cycle at the M phase[1]. EZH2/HSP90-IN-29 (2 μM) inhibits DNA repair ability by downregulating the expression of RB binding protein (RBBP8), BRCA1, DNA repair and recombination proteins RAD54B, RAD21, and cross-linking endonucleases EME1 and BRIP1 in Pt3R cells[1]. EZH2/HSP90-IN-29 (5 μM) upregulated the levels of ROS and cleaved caspase-3, and increased mitochondrial-derived ROS[1]. |
| ln Vivo | EZH2/HSP90-IN-29 (20 mg/kg, intraperitoneally, twice a week for 40 days) inhibits Pt3R-induced tumor growth in NOD.CB17-Prkdcscid/NCrCrl mice bearing Pt3R xenografts [1]. |
| Cell Assay |
Cell Cytotoxicity Assay[1] Cell Types: Pt3R Tested Concentrations: 0-50 μM Incubation Duration: 72 h Experimental Results: Inhibited 50% cell viability with concentration of 1.015 μM. Western Blot Analysis[1] Cell Types: Pt3 and Pt3R Tested Concentrations: 0-5 μM Incubation Duration: 72 h Experimental Results: Decreased expressions of CDK1 and cyclin B1, increased cleaved caspase-3. |
| Animal Protocol |
Animal/Disease Models: Pt3R xenograft NOD.CB17-Prkdcscid/NCrCrl mice[1] Doses: 10-20 mg/kg Route of Administration: i.p., twice a week for 40 days Experimental Results: Inhibited tumor growth. |
| References |
[1].First-in-Class Dual EZH2-HSP90 Inhibitor Eliciting Striking Antiglioblastoma Activity In Vitro and In Vivo. J Med Chem. 2024 Feb 22;67(4):2963-2985. |
Solubility Data
| Solubility (In Vitro) | Typically soluble in DMSO (e.g. 10 mM) |
| 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 | 1.4688 mL | 7.3440 mL | 14.6880 mL | |
| 5 mM | 0.2938 mL | 1.4688 mL | 2.9376 mL | |
| 10 mM | 0.1469 mL | 0.7344 mL | 1.4688 mL |