Physicochemical Properties
| Molecular Formula | C18H20O3 |
| Molecular Weight | 284.349605560303 |
| Exact Mass | 284.141 |
| CAS # | 141172-08-9 |
| PubChem CID | 5388767 |
| Appearance | Typically exists as solid at room temperature |
| LogP | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 21 |
| Complexity | 306 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC1=CC=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC |
| InChi Key | YSJFPRSDNPCGBF-KTKRTIGZSA-N |
| InChi Code | InChI=1S/C18H20O3/c1-13-5-7-14(8-6-13)9-10-15-11-16(19-2)18(21-4)17(12-15)20-3/h5-12H,1-4H3/b10-9- |
| Chemical Name | 1,2,3-trimethoxy-5-[(Z)-2-(4-methylphenyl)ethenyl]benzene |
| 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 | Several cancer cell lines experience cytotoxicity when exposed to SS28 (0–20 μM) [1]. After further incubation, SS28 treatment (5 μM for A549 and 2 μM for CEM) induces cell cycle arrest in the G2/M phase, which results in apoptosis [1]. |
| ln Vivo | Treatment with SS28 (15 mg/kg b.wt.) can stop the growth of tumor cells [1]. |
| Cell Assay |
Cell proliferation assay [1] Cell Types: CEM, Reh, Nalm6, SUDHL8, Molt4, A549, HeLa 293T cells. Tested Concentrations: 1, 5, 10 and 20 μM. Incubation Duration: 48 and 72 hrs (hours). Experimental Results: CEM and A549 demonstrated maximum sensitivity to SS28, followed by SUDHL8, Molt4 and Reh, while Nalm6 demonstrated intermediate sensitivity after 48 hrs (hours) of treatment. After 48 hrs (hours) of treatment, the IC50 values of SS28 were 2.6 and 5.2 μM in CEM and A549 cell lines, respectively, while they were 2.7, 5.1, 7.9, and 21 μM in SUDHL8, Molt4, Reh, and Nalm6, respectively. Cell cycle analysis[1] Cell Types: CEM and A549 cells. Tested Concentrations: 2 μM (CEM) and 5 μM (A549). Incubation Duration: 6, 12, 18, 24 and 30 hrs (hours). Experimental Results: A significant accumulation of cells in the G2/M phase was shown in a time-dependent manner (6 to 24 hrs (hours)), followed by an increase in the sub-G1 population, indicating apoptosis in A549 at 30 hrs (hours). Similarly, studies in CEM also demonstrated a significant arrest in the G2/M phase after 12 hrs (hours) of treatment compar |
| Animal Protocol |
Animal/Disease Models: balb/c (Bagg ALBino) mouse using EAC cells [1]. Doses: 15 mg/kg. Doses: Take orally every other day for a total of 9 doses. Experimental Results: Unlike untreated tumor control mice, there was no further tumor progression in mice given SS28. |
| References |
[1]. A Novel Resveratrol Based Tubulin Inhibitor Induces Mitotic Arrest and Activates Apoptosis in Cancer Cells. Sci Rep. 2016 Oct 17;6:34653. |
Solubility Data
| 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 | 3.5168 mL | 17.5840 mL | 35.1679 mL | |
| 5 mM | 0.7034 mL | 3.5168 mL | 7.0336 mL | |
| 10 mM | 0.3517 mL | 1.7584 mL | 3.5168 mL |