Physicochemical Properties
| Molecular Formula | C33H38N2O4 |
| Molecular Weight | 526.67 |
| 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 | Compound 4s, HDAC-IN-9, has anti-proliferative action against MCF-7, MGC-803, HeLa, A549, HepG2, and U937 cells, with IC50s of 1.821, 2.538, 4.84, 1.782, 2.525, and 0.371 µM, respectively[1]. With IC50s of 10.89, 5.63, and 8.14 µM for 293 T, macrophages, and L02 cells, respectively, HDAC-IN-9 exhibits selectivity ratios of 6.1, 3.2, and 4.6 for these three types of cells[1]. With inhibitory concentrations of 6.8, 0.06, 0.12, and 8.5 µM for HDAC 1, HDAC 2, HDAC 6, and HDAC 10, respectively, HDAC-IN-9 exhibits inhibition actions against HDAC isoforms[1]. In A459 cells, HDAC-IN-9 (1, 2, 4 µM; 72 h) causes concentration-dependent cell cycle arrest at the G2/M phase[1]. In A549 cells, HDAC-IN-9 (1, 2, 4 µM; 72 h) promotes apoptosis through an intrinsic mitochondrial-mediated mechanism that is dependent on caspase[1]. HDAC-IN-9 (0, 0.5, 1, 2 µM; 48 h) inhibits angiogenesis and decreases endothelial cell metastasis in A549 cells, demonstrating anti-proliferative activity[1]. HDAC-IN-9 (0, 1, 2, 4 µM, 48 h) prevents A549 cells from invasively growing and migrating[1]. |
| ln Vivo | In zebrafish embryos, HDAC-IN-9 (0, 10, 20, 40 µM) inhibits the establishment of intersegmental blood vessels (ISVs)[1]. In zebrafish xenograft models, HDAC-IN-9 (0, 2.5, 5, 10 µM; 3 days) suppresses the growth and metastasis of A549 cells[1]. |
| Cell Assay |
Cell Proliferation Assay[1] Cell Types: MCF -7, MGC-803, HeLa, A549, HepG2, U937 cells Tested Concentrations: Incubation Duration: 72 h Experimental Results: demonstrated anti-proliferative activity (IC50s of 1.821, 2.538, 4.84, 1.782, 2.525, 0.371 µM for MCF-7, MGC -803, HeLa, A549, HepG2, U937 cells, respectively). Cell Cycle Analysis[1] Cell Types: A459 cells Tested Concentrations: 0, 1, 2, 4 µM Incubation Duration: 72 h Experimental Results: Cells were arrested at the G2/ M phase with a dose-dependent manner. Apoptosis Analysis[1] Cell Types: A459 cells Tested Concentrations: 0, 1, 2, 4 µM Incubation Duration: 72 h Experimental Results: Induced apoptosis via a Caspase-dependent intrinsic mitochondrial-mediated pathway in A549 cells. Western Blot Analysis[1] Cell Types: A459 cells Tested Concentrations: 0, 1, 2, 4 µM Incubation Duration: 72 h Experimental Results: demonstrated down regulation of Cyclin B1 and Pcdc2 levels. |
| Animal Protocol |
Animal/Disease Models: embryos of Tg(flk:EGFP) transgenic zebrafish (transgenic zebrafish model Tg(flk1:EGFP))[1] Doses: 0, 10, 20 , 40 µM Route of Administration: Experimental Results: Suppressed the formation of ISVs in zebrafish embryos. Animal/Disease Models: zebrafish xenograft models[1] Doses: 0, 2.5, 5, 10 µM Route of Administration: 3 days Experimental Results: Inhibited the proliferation and metastasis of A549 cells in zebrafish xenograft models. |
| References | [1]. Sun M, et al. 2-Methoxydiol derivatives as new tubulin and HDAC dual-targeting inhibitors, displaying antitumor and antiangiogenic response. Bioorg Chem. 2022; 120:105625. |
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 | 1.8987 mL | 9.4936 mL | 18.9872 mL | |
| 5 mM | 0.3797 mL | 1.8987 mL | 3.7974 mL | |
| 10 mM | 0.1899 mL | 0.9494 mL | 1.8987 mL |